SCHEMBL2875596

SCHEMBL2875596

COc1ccc(CC(Cc2ccc(OC)cc2)(OC(Cc2ccc(OC)cc2)(Cc2ccc(OC)cc2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.45
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
CMA1 P23946 1/20 0.43
AGXT P21549 2/20 0.42
LTA4H P09960 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11596580 0.79 IDO1 (0.52) IDO1ALDH1A1ALOX15KDM4EMAPT
SCHEMBL3655846 0.79 IDO1 (0.52) IDO1ALDH1A1ALOX15KDM4EMAPT
SCHEMBL3122385 0.77 CALM1 (0.47) IDO1ALDH1A1ALOX15KDM4EMAPT
SCHEMBL16424752 0.74 IDO1 (0.56) IDO1ALDH1A1ALOX15KDM4EMAPT
SCHEMBL10731809 0.74 IDO1 (0.50) IDO1ALDH1A1ALOX15KDM4EMAPT
SCHEMBL73472 0.73 IDO1 (0.54) IDO1ALDH1A1ALOX15KDM4EMAPT
SCHEMBL3719895 0.71 IDO1 (0.52) IDO1ALDH1A1ALOX15MAPTAGXT
SCHEMBL330750 0.71 IDO1 (0.58) IDO1ALDH1A1ALOX15KDM4EMAPT
SCHEMBL30457023 0.71 IDO1 (0.52) IDO1ALDH1A1ALOX15KDM4EMAPT
SCHEMBL26695481 0.71 IDO1 (0.54) IDO1ALDH1A1ALOX15AGXTLTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981544-B1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE) HYDROGEL, PREPARATION METHOD THEREOF AND USE THEREOF KIST KOREA INSTITUTE OF SCIENCE AND TECH (KR) 2019-06-19 EP disclosed
US-10299478-B2 Pyrazolyltriazolylpyridines as pesticides BAYER ANIMAL HEALTH GMBH (DE) 2019-05-28 US disclosed
US-10273226-B2 Pyrazolyl-heteroarylamides as pesticides BAYER ANIMAL HEALTH GMBH (DE) 2019-04-30 US disclosed
US-10202351-B2 Pyrazolyl derivatives as pest control agents BAYER ANIMAL HEALTH GMBH (DE) 2019-02-12 US disclosed
US-20180044298-A1 NOVEL PYRAZOLYL DERIVATIVES AS PEST CONTROL AGENTS BAYER ANIMAL HEALTH GMBH (DE) 2018-02-15 US disclosed
US-9706775-B2 Halogen-substituted compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-07-18 US disclosed
US-9675070-B2 Halogen-substituted compounds BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-13 US disclosed
US-20170137413-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-18 US disclosed
US-20170112129-A1 NOVEL PYRAZOLYLTRIAZOLYLPYRIDINES AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2017-04-27 US disclosed
US-20160326140-A1 NOVEL PYRAZOLYL-HETEROARYLAMIDES AS PESTICIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-11-10 US disclosed
US-8313771-B2 Phosphazene hydrogels with chemical corss-link, preparation method thereof and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-20 US disclosed
US-8183351-B2 Avermectin derivatives BAYER CROPSCIENCE AG (DE) 2012-05-22 US disclosed
US-20110301181-A1 halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2011-12-08 US disclosed
US-20100298576-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-11-25 US disclosed
US-20100297155-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS-LINK, PREPARATION METHOD THEREOF AND USE THEREOF DECA ITALIA S.R.L. (IT) 2010-11-25 US disclosed
US-20100234312-A1 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20090131406-A1 CROPWELLLINS AND SYNTHETIC DERIVATIVES THEREOF USED AS MEDICAMENTS BAYER CROPSCIENCE AG (DE) 2009-05-21 US disclosed
US-20090047348-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-02-19 US disclosed
EP-2001513-A1 THERMOSENSITIVE POLYPHOSPHAZENE-BIOACTIVE MOLECULE CONJUGATES, PREPARATION METHOD THEROF AND USE THEREOF Korea Institute of Science and Technology (KR) 2008-12-17 EP disclosed
WO-2007114549-A1 THERMOSENSITIVE POLYPHOSPHAZENE-BIOACTIVE MOLECULE CONJUGATES, PREPARATION METHOD THEROF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-10-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180044298-A1 NOVEL PYRAZOLYL DERIVATIVES AS PEST CONTROL AGENTS PIR, PLPBP, PDXK IDO1 455/4885ALDH1A1 2600/4885ALOX15 3893/4885
US-20170112129-A1 NOVEL PYRAZOLYLTRIAZOLYLPYRIDINES AS PESTICIDES PRDX4, PRDX1, PRDX5 IDO1 144/4885ALDH1A1 1268/4885ALOX15 2804/4885
US-20170137413-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS CYP4F3, PYM1, PRDX4 IDO1 447/4885ALDH1A1 748/4885ALOX15 435/4885
US-10299478-B2 Pyrazolyltriazolylpyridines as pesticides PRDX4, PRDX1, ATL3 IDO1 112/4885ALDH1A1 1058/4885ALOX15 2460/4885
US-20090131406-A1 CROPWELLLINS AND SYNTHETIC DERIVATIVES THEREOF USED AS MEDICAMENTS COIL, CIAPIN1, MEN1 IDO1 3599/4885ALDH1A1 3824/4885ALOX15 3646/4885
US-20110301181-A1 halogen-substituted compounds L3MBTL4, QSOX1, L3MBTL3 IDO1 2038/4885ALDH1A1 457/4885ALOX15 605/4885
US-20090047348-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PGLS, NAPEPLD IDO1 4514/4885ALDH1A1 3212/4885ALOX15 1684/4885
US-20100234312-A1 AVERMECTIN DERIVATIVES OXTR, C3AR1, CBR3 IDO1 3699/4885ALDH1A1 2070/4885ALOX15 4608/4885
US-20160326140-A1 NOVEL PYRAZOLYL-HETEROARYLAMIDES AS PESTICIDES CYP4Z1, NAT1, PRDX4 IDO1 38/4885ALDH1A1 804/4885ALOX15 1149/4885
US-20100297155-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS-LINK, PREPARATION METHOD THEREOF AND USE THEREOF PRUNE1, PHYKPL, PAPSS1 IDO1 2515/4885ALDH1A1 750/4885ALOX15 3338/4885
US-20100298576-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NQO1, COASY, NOS2 IDO1 900/4885ALDH1A1 2383/4885ALOX15 306/4885
US-10273226-B2 Pyrazolyl-heteroarylamides as pesticides CYP4Z1, NAT1, CYP4F3 IDO1 30/4885ALDH1A1 777/4885ALOX15 1020/4885
US-10202351-B2 Pyrazolyl derivatives as pest control agents PIR, PDXK, CTRL IDO1 648/4885ALDH1A1 2607/4885ALOX15 4747/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.