SCHEMBL3483347

SCHEMBL3483347

O=C(O)c1ccc2c[c]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
PTPN1 P18031 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ENPP2 Q13822 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTGS2 P35354 1/20 0.41
CA7 P43166 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
SCHEMBL6631674 0.92 KDM4E (0.46) KDM4EPTPN1ALDH1A1HPGDENPP2
Water SCHEMBL29163663 0.83 KDM4E (0.65) KDM4EPTPN1ALDH1A1HPGDENPP2
SCHEMBL15711096 0.83 CYP2A6 (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5748794 0.83 LCK (0.56) KDM4EALDH1A1HSD17B10KMT2ATSHR
SCHEMBL5553792 0.82 RAB9A (0.60) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL29594563 0.81 KDM4E (0.68) KDM4EPTPN1ALDH1A1HPGDENPP2
SCHEMBL18758 0.81 KDM4E (0.68) KDM4EPTPN1ALDH1A1HPGDENPP2
SCHEMBL6916181 0.81 KDM4E (0.68) KDM4EPTPN1ALDH1A1HPGDENPP2
SCHEMBL29359975 0.81 KDM4E (0.68) KDM4EPTPN1ALDH1A1HPGDENPP2
SCHEMBL7790677 0.80 CES2 (0.36) KDM4EPTPN1ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
US-6583133-B1 Especially against Gram-positive organisms, e.g. methicillin-sensitive (MSSA) and methicillin- resistant (MRSA) staphylococci, enterococci and pneumococci BASILEA PHARMACEUTICA AG (CH) 2003-06-24 US claimed
EP-1090013-A1 PROPENYL CEPHALOSPORIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP claimed
WO-2000032605-A1 BI-PYRROLIDINYLVINL (CARBA) CEPHALOSPORINS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO claimed
WO-1999067255-A1 PROPENYL CEPHALOSPORIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-12-29 WO claimed
EP-0745719-A2 Use of carbohydrate compounds as auxiliary agents in the dyeing or printing of fibrous materials HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-04 EP claimed
US-5281263-A Disazo dyes for inks printed paper IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-25 US claimed
EP-2824101-B1 NOVEL COMPOUND, AND SUPPORT MATERIAL HAVING SAID NOVEL COMPOUND SUPPORTED THEREON ADEKA CORP (JP) 2018-05-09 EP disclosed
CN-106572659-A Noxious arthropod control agent containing amide compound 住友化学株式会社 2017-04-19 CN disclosed
US-9496095-B2 Compound and carrier system having the compound ADEKA CORPORATION (JP) 2016-11-15 US disclosed
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
EP-2824101-A1 NOVEL COMPOUND, AND SUPPORT MATERIAL HAVING SAID NOVEL COMPOUND SUPPORTED THEREON Adeka Corporation (JP) 2015-01-14 EP disclosed
US-20140353553-A1 NOVEL COMPOUND AND CARRIER SYSTEM HAVING THE COMPOUND ADEKA CORPORATION (JP) 2014-12-04 US disclosed
EP-0559310-B1 Ink compositions ZENECA LTD (GB) 1996-04-03 EP disclosed
WO-1995031505-A1 DISAZO COMPOUND ZENECA LIMITED (GB) 1995-11-23 WO disclosed
US-5383960-A Ink jet printing inks ZENECA LIMITED (GB) 1995-01-24 US disclosed
US-5281263-A Disazo dyes for inks printed paper IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-25 US disclosed
EP-0572419-A1 ANIONIC DISAZO DYES. ZENECA LTD (GB) 1993-12-08 EP disclosed
EP-0559310-A1 Ink compositions ZENECA LIMITED (GB) 1993-09-08 EP disclosed
WO-1992013037-A1 ANIONIC DISAZO DYES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-08-06 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 (1 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-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 KDM4E 2491/4885PTPN1 4660/4885ALDH1A1 2299/4885

“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.