SCHEMBL6151694

SCHEMBL6151694

c1c[nH]c2cc3cc4ccccc4c3cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 4/20 0.50
HIF1A Q16665 1/20 0.50
CYP1B1 Q16678 1/20 0.50
CYP2D6 P10635 1/20 0.40
CYP1A2 P05177 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
AHR P35869 2/20 0.39
TRPA1 O75762 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
ADK P55263 1/20 0.39
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL1402164 0.85 ALDH1A1 (0.61) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL1402179 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL2806310 0.79 GPR84 (0.43) NPC1AHRTRPA1CA1CA2
SCHEMBL6655939 0.77 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1CYP2D6
SCHEMBL20554795 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL30071614 0.74 AHR (0.61) NPC1AHRTRPA1CA1CA2
SCHEMBL1440181 0.74 AHR (0.61) NPC1AHRTRPA1CA1CA2
SCHEMBL4496612 0.73 RAD52 (0.50) ALDH1A1HSD17B10HIF1ACYP2D6CYP1A2
Hydrochloric Acid SCHEMBL7763064 0.73 AHR (0.58) NPC1AHRTRPA1CA1CA2
Bromide SCHEMBL7762976 0.73 AHR (0.58) NPC1AHRTRPA1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313700-B1 10-ARYL-11H-BENZO[B]FLUORENE DERIVATIVES AND ANALOGS AS ESTROGENIC COMPOUNDS AKZO NOBEL NV (NL) 2005-11-09 EP disclosed
US-20040186132-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2004-09-23 US disclosed
EP-1043325-B1 Steroid receptor modulator compounds and methods LIGAND PHARM INC (US) 2004-06-16 EP disclosed
US-20040059004-A1 10-ARYL-11H-BENZO[B]FLUORENE DERIVATIVES AND ANALOGS FOR MEDICINAL USE MERCK SHARP & DOHME B.V. (NL) 2004-03-25 US disclosed
US-6696459-B1 USING HIGH AFFINITY, HIGH SELECTIVITY QUINOLINE DERIVATIVESW LIGAND PHARMACEUTICALS INC. 2004-02-24 US disclosed
EP-1382597-A2 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. (US) 2004-01-21 EP disclosed
EP-0800519-B1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2003-10-22 EP disclosed
US-20030144313-A1 Non-steroidal, tetracylic compounds for estrogen-related treatments N.V. ORGANON (NL) 2003-07-31 US disclosed
EP-1313700-A1 10-ARYL-11H-BENZO[B]FLUORENE DERIVATIVES AND ANALOGS AS ESTROGENIC COMPOUNDS Akzo Nobel N.V. (NL) 2003-05-28 EP disclosed
US-6448405-B1 COUPLING A 2-HALO-5-NITROBENZOIC ACID AND A 2-METHOXYPHENYL BORONIC ACID; CYCLIZING TO A NITROBENZOCOUMARIN; REDUCING TO THE AMINE; CONVERTING TO A COUMARINO(3,4-F)QUINOLINE; REDUCTION TO A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED 2002-09-10 US disclosed
US-6077699-A PURIFIED NUCLEOTIDE SEQUENCE OF ORF1 GENE OF STREPTOMYCES PRISTINAESPIRALIS OR ITS COMPLEMENT; FOR RECOMBINANT PRODUCTION OF KNOWN AND NOVEL ANTIBIOTICS AVENTIS PHARMA S.A. (FR) 2000-06-20 US disclosed
US-6071715-A NUCLEOTIDE SEQUENCES CODING PROTEINS ASSOCIATED WITH TUMOR SUPPRESSION; FOR DIAGNOSIS AND TREATMENT OF WOUNDS, LEUKEMIA, AND CANCER; ANTICARCINOGENIC AGENTS; WOUND HEALING AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-06-06 US disclosed
US-6045792-A A GENETICALLY ENGINEERED PURIFIED PROTEINS OR POLYPEPTIDES COMPRISING THE AMINO ACID SEQUENCE INCYTE PHARMACEUTICALS, INC. (US) 2000-04-04 US disclosed
US-5994544-A PRODUCING A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-11-30 US disclosed
US-5985285-A INFECTION WITH THE ORGANISM YERSINIA PESTIS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1999-11-16 US disclosed
US-5948619-A NEW COMPOSITIONS WHICH ARE USEFUL IN THE DIAGNOSIS, PREVENTION AND TREATMENT OF CANCER AND NEURONAL DISORDERS. INCYTE PHARMACEUTICALS, INC. (US) 1999-09-07 US disclosed
US-5925733-A THEY MAY BE USED FOR DETECTING SPECIFIC ANTIBODY POTENTIALLY PRESENT IN THE SERUM OF INFECTED SUBJECTS. THEY MAY ALSO BE USED FOR DESIGNING OR SCREENING PHARMACEUTICAL COMPOUNDS THAT LIMIT VIRAL REPLICATION BY INHIBITING DNA POLYMERASE ACTIVITY. UNIVERSITY OF WASHINGTON (US) 1999-07-20 US disclosed
US-5919618-A ISOLATING GENE CODING FOR PROTEIN WHICH CONTROLS AGING; CREATING GENOMIC DNA LIBRARY, TRANSFORMING INTO DEFECTIVE YEAST CELLS, CULTURING, ISOLATIN COMPLEMENTING MUTANTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1999-07-06 US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 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-20040186132-A1 Steroid receptor modulator compounds and methods NR5A1, ESRRA, NR3C2 ALDH1A1 3161/4885HSD17B10 343/4885HIF1A 4125/4885
US-20030144313-A1 Non-steroidal, tetracylic compounds for estrogen-related treatments ESRRA, ESRRB, ESRRG ALDH1A1 1931/4885HSD17B10 179/4885HIF1A 2750/4885
US-20040059004-A1 10-ARYL-11H-BENZO[B]FLUORENE DERIVATIVES AND ANALOGS FOR MEDICINAL USE ESRRA, ESR2, ESRRB ALDH1A1 1045/4885HSD17B10 275/4885HIF1A 1234/4885

“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.