Sugi Predict

Sugi Predict / Compounds / SCHEMBL11045804

SCHEMBL11045804

SCHEMBL11045804

Cc1cc(Br)c(Br)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ AHR P35869 1/20 0.35
▸ TSHR P16473 4/20 0.34
▸ POLB P06746 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTR2C P28335 2/20 0.32
▸ KDM1A O60341 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KDM1B Q8NB78 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ NR2F2 P24468 1/20 0.32
▸ NOD2 Q9HC29 1/20 0.32
▸ RAB9A P51151 2/20 0.31

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
SCHEMBL120851 0.93 ALDH1A1 (0.42) ALDH1A1BCHECES1AHRTSHR
SCHEMBL482796 0.89 TSHR (0.42) ALDH1A1BCHECES1TSHRPOLB
SCHEMBL29366549 0.86 TSHR (0.47) ALDH1A1BCHECES1TSHRPOLB
SCHEMBL133345 0.86 TSHR (0.47) ALDH1A1BCHECES1TSHRPOLB
SCHEMBL29637482 0.85 TSHR (0.44) ALDH1A1BCHECES1AHRTSHR
SCHEMBL1135594 0.85 TSHR (0.44) ALDH1A1BCHECES1AHRTSHR
SCHEMBL25704920 0.80 ESR1 (0.42) ALDH1A1BCHECES1AHRTSHR
SCHEMBL19831167 0.80 BCHE (0.45) ALDH1A1BCHECES1TSHRPOLB
SCHEMBL14866666 0.80 BCHE (0.45) ALDH1A1BCHECES1TSHRPOLB
SCHEMBL272760 0.78 CYP3A4 (0.63) ALDH1A1BCHECES1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023008644-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME (주)피엔에이치테크 2023-02-02 — — WO disclosed
EP-3087155-A1 CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI Albemarle Corporation (US) 2016-11-02 — — EP disclosed
US-20160289527-A1 CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI ALBEMARLE CORP (US) 2016-10-06 — — US disclosed
WO-2015100004-A1 CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI ALBEMARLE CORPORATION (US) 2015-07-02 — — WO disclosed
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 — — US disclosed
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 — — US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 — — US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 — — US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 — — US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 — — US disclosed
US-7479531-B2 Copolymer of ethylene and/or propylene; and octen-1-ol,7-octen-1-ol trimethylsilyl ether, octenyl acetate, 5-norbornen-2-yl acetate, 5-norbornen-2-ol and/or 5-norbornen-2-ol trimethylsilyl ether; transition metal catalyst comprising 2-arylazo- or 2-arylphosphazo- phenoxide ligand EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-01-20 — — US disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 — — US disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 — — US disclosed
US-7285609-B2 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-23 — — US disclosed
US-7285609-B2 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-23 — — US disclosed
US-20070197751-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-23 — — US disclosed
US-20070197751-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-23 — — US disclosed
EP-1787992-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-23 — — EP disclosed
EP-0045423-B1 PROCESS FOR THE ALPHA-HALOGENATION OF POSSIBLY SUBSTITUTED METHYL AROMATICS BAYER AG (DE) 1984-02-22 — — EP disclosed
EP-0045423-A1 Process for the alpha-halogenation of possibly substituted methyl aromatics BAYER AG (DE) 1982-02-10 — — EP 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 (2 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-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group HRH2, HRH4, CRHR1 ALDH1A1 3367/4885BCHE 939/4885CES1 2080/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 ALDH1A1 3369/4885BCHE 919/4885CES1 2009/4885

“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.