SCHEMBL2530865

SCHEMBL2530865

c1cc2cc3[nH]ccc3cc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.67
AHR P35869 7/20 0.56
CYP2A6 P11509 3/20 0.56
NR4A2 P43354 2/20 0.56
CMA1 P23946 1/20 0.56
F7 P08709 1/20 0.56
LTA4H P09960 1/20 0.56
F3 P13726 1/20 0.56
TYR P14679 1/20 0.56
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
RAD51 Q06609 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CSNK2A1 P68400 1/20 0.56
NPC1 O15118 1/20 0.56
TRPA1 O75762 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ITGB2 P05107 1/20 0.52

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
SCHEMBL23714123 0.94 GPR84 (0.61) GPR84AHRCYP2A6NR4A2CMA1
SCHEMBL3731175 0.90 GPR84 (0.64) GPR84AHRCYP2A6NR4A2CMA1
SCHEMBL1440181 0.87 AHR (0.61) GPR84AHRCYP2A6NR4A2CMA1
SCHEMBL30071614 0.87 AHR (0.61) GPR84AHRCYP2A6NR4A2CMA1
Hydrochloric Acid SCHEMBL7763064 0.84 AHR (0.58) GPR84AHRCYP2A6NR4A2CMA1
Bromide SCHEMBL7762976 0.84 AHR (0.58) GPR84AHRCYP2A6NR4A2CMA1
SCHEMBL12219474 0.84 KIF11 (0.56) GPR84AHRCYP2A6NR4A2CMA1
SCHEMBL5850255 0.83 NPC1 (0.79) AHRCYP2A6NR4A2F7LTA4H
SCHEMBL18315984 0.83 GPR84 (0.50) GPR84AHRCYP2A6NR4A2CMA1
SCHEMBL3131647 0.81 GPR84 (0.54) GPR84AHRCYP2A6NR4A2CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9559305-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-01-31 US claimed
US-20150076418-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2015-03-19 US claimed
EP-2825587-A2 CONJUGATED POLYMERS Merck Patent GmbH (DE) 2015-01-21 EP claimed
WO-2013135339-A2 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2013-09-19 WO claimed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP claimed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP claimed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-2825587-B1 CONJUGATED POLYMERS RAYNERGY TEK INC (TW) 2022-11-23 EP disclosed
EP-4008754-A1 HIGH REFRACTIVE INDEX BIREFRINGENT ORGANIC SOLID CRYSTAL AND METHODS OF MAKING THEREOF Facebook Technologies, LLC (US) 2022-06-08 EP disclosed
US-11046889-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2021-06-29 US disclosed
US-10649124-B2 Composition including compound having mesogenic group, polymer and optically anisotropic body obtained by polymerizing polymerizable composition, and phase difference film DIC CORPORATION (JP) 2020-05-12 US disclosed
EP-3110821-B1 DIKETOPYRROLOPYRROLE SEMICONDUCTING MATERIALS, PROCESSES FOR THEIR PREPARATION AND USES THEREOF CORNING INC (US) 2019-10-30 EP disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US disclosed
US-6201129-B1 ANTICARCINOGENIC AGENTS UNIV. COLLEGE CARDIFF CONSULTANTS (GB) 2001-03-13 US disclosed
EP-0807113-A1 TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS University College Cardiff Consultants Limited (GB) 1997-11-19 EP disclosed
EP-0743946-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1996-11-27 EP disclosed
WO-1995021844-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1995-08-17 WO disclosed
WO-1995021171-A1 TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1995-08-10 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 (3 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 GPR84 3974/4885AHR 988/4885CYP2A6 405/4885
US-20150076418-A1 CONJUGATED POLYMERS OCIAD2, OCIAD1, BPNT1 GPR84 4324/4885AHR 1920/4885CYP2A6 1579/4885
US-11046889-B2 Polymerizable compound and optically anisotropic body OCIAD1, RCC1, OCIAD2 GPR84 2082/4885AHR 2480/4885CYP2A6 1987/4885

“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.