SCHEMBL4418609

SCHEMBL4418609

c1cc2cc3occc3cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.45
NPC1 O15118 1/20 0.44
CSNK2A1 P68400 1/20 0.40
AHR P35869 6/20 0.39
NR4A2 P43354 2/20 0.39
CYP2A6 P11509 2/20 0.39
CMA1 P23946 1/20 0.39
F7 P08709 1/20 0.39
LTA4H P09960 1/20 0.39
F3 P13726 1/20 0.39
TYR P14679 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
RAD51 Q06609 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL30415502 1.00 GPR84 (0.45) GPR84NPC1CSNK2A1AHRNR4A2
SCHEMBL4419981 0.92 GPR84 (0.45) GPR84NPC1CSNK2A1AHRNR4A2
SCHEMBL2149910 0.78 CYP2A6 (0.54) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL2530865 0.78 GPR84 (0.67) GPR84NPC1CSNK2A1AHRNR4A2
SCHEMBL23714123 0.73 GPR84 (0.61) GPR84NPC1CSNK2A1AHRNR4A2
SCHEMBL17086865 0.73 CYP2A6 (0.56) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL17086866 0.73 CYP2A6 (0.56) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL17086913 0.73 CYP2A6 (0.56) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL17086914 0.73 CYP2A6 (0.56) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL4926364 0.72 CA9 (0.50) NPC1CYP2A6GAAALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
US-20260138974-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH S L (ES) 2026-05-21 US disclosed
US-12540133-B2 Potent and selective compounds as serotonin 1B receptor modulators LEUKOS BIOTECH, S.L. (ES) 2026-02-03 US disclosed
EP-4445901-A2 NEW POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS Leukos Biotech, S.L. (ES) 2024-10-16 EP disclosed
EP-4225753-B1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH S L (ES) 2024-07-31 EP disclosed
US-20240166639-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH, S.L. (ES) 2024-05-23 US disclosed
EP-4225753-A1 POTENT AND SELCTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS Leukos Biotech, S.L. (ES) 2023-08-16 EP disclosed
WO-2022074103-A1 POTENT AND SELCTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH, S.L. (ES) 2022-04-14 WO 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
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO 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-6872718-B1 Tricyclic dihydrobenzofuran derivatives, process for the preparation thereof and agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
EP-1211253-B1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-10-13 EP disclosed
EP-1211253-A1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed
US-6201129-B1 ANTICARCINOGENIC AGENTS UNIV. COLLEGE CARDIFF CONSULTANTS (GB) 2001-03-13 US disclosed
WO-1999045926-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AND IMMUNOMODULATORY AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1999-09-16 WO disclosed
EP-0807113-A1 TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS University College Cardiff Consultants Limited (GB) 1997-11-19 EP 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 (5 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-20260138974-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS HTR3B, HTR1B, HTR1A GPR84 274/4885NPC1 734/4885CSNK2A1 2869/4885
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 GPR84 3974/4885NPC1 4617/4885CSNK2A1 476/4885
US-12540133-B2 Potent and selective compounds as serotonin 1B receptor modulators HTR3B, HTR1A, HTR1B GPR84 170/4885NPC1 674/4885CSNK2A1 2784/4885
US-20240166639-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS HTR1B, HTR1A, HTR3B GPR84 89/4885NPC1 1103/4885CSNK2A1 4072/4885
US-11046889-B2 Polymerizable compound and optically anisotropic body OCIAD1, RCC1, OCIAD2 GPR84 2082/4885NPC1 3601/4885CSNK2A1 3121/4885

“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.