SCHEMBL7765576

SCHEMBL7765576

O=C(OCc1ccccc1Br)OCc1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP12 P39900 1/20 0.55
IDO1 P14902 2/20 0.55
ALDH1A1 P00352 3/20 0.53
PARP10 Q53GL7 1/20 0.51
NPC1 O15118 1/20 0.49
FFAR4 Q5NUL3 2/20 0.47
FFAR1 O14842 1/20 0.47
TAAR1 Q96RJ0 1/20 0.42
TSHR P16473 1/20 0.40
RIPK1 Q13546 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL7760184 0.86 ALDH1A1 (0.56) MAPTKMT2ARAB9APOLBPKM
SCHEMBL6702870 0.86 MMP1 (0.54) MAPTKMT2ARAB9APOLBPKM
SCHEMBL30429390 0.86 ALDH1A1 (0.56) MAPTKMT2ARAB9APOLBPKM
SCHEMBL10800307 0.84 ALDH1A1 (0.56) MAPTKMT2ARAB9APOLBPKM
SCHEMBL31554190 0.84 MAPT (0.57) MAPTKMT2ARAB9APOLBPKM
SCHEMBL6176778 0.84 ALDH1A1 (0.55) MAPTKMT2ARAB9APOLBPKM
SCHEMBL114463 0.84 PARP10 (0.57) MAPTKMT2ARAB9APOLBPKM
SCHEMBL777869 0.84 MAPT (0.57) MAPTKMT2ARAB9APOLBPKM
SCHEMBL11343363 0.84 MAPT (0.45) MAPTKMT2ARAB9APOLBPKM
SCHEMBL9064611 0.82 HCAR2 (0.51) MAPTKMT2ARAB9APOLBPKM

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889901-B1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF LHRH ANTAGONISTS ABBOTT LAB (US) 2001-09-19 EP claimed
EP-0914334-B1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF LHRH ANTAGONISTS ABBOTT LAB (US) 2001-05-30 EP claimed
EP-0914334-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF LHRH ANTAGONISTS Abbott Laboratories (US) 1999-05-12 EP claimed
EP-0889901-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF LHRH ANTAGONISTS Abbott Laboratories (US) 1999-01-13 EP claimed
US-5710247-A DEPROTECTING OLIGOPEPTIDE; COUPLING ABBOTT LABORATORIES (US) 1998-01-20 US claimed
US-5710246-A COUPLING OLIGOPEPTIDES; DEPROTECTING ABBOTT LABORATORIES (US) 1998-01-20 US claimed
WO-1997034923-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1997-09-25 WO claimed
WO-1997034924-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1997-09-25 WO claimed
CN-118591551-A Synthetic methods for producing modified GCC receptor agonists 硬木药品公司 2024-09-03 CN disclosed
CN-102958914-B 1-phenyl substituted heterocyclic derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD 2015-05-27 CN disclosed
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
CN-1324006-C Beta-amino acid nitrile derivs. HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
CN-1436168-A Beta-amino acid nitrile derivs. HOFFMANN LA ROCHE (CH) 2003-08-13 CN 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 MAPT 4762/4885KMT2A 4417/4885RAB9A 1846/4885

“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.