SCHEMBL9609733

SCHEMBL9609733

BrCc1ccc2ccc3ccccc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 3/20 0.56
HIF1A Q16665 2/20 0.56
CYP1B1 Q16678 1/20 0.56
TSHR P16473 2/20 0.52
CYP2A6 P11509 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 5/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C19 P33261 2/20 0.50
HPRT1 P00492 3/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.42
TRPA1 O75762 1/20 0.42
PAX8 Q06710 1/20 0.40
MAPK1 P28482 1/20 0.40
MC5R P33032 1/20 0.40
CASP3 P42574 1/20 0.39
GFER P55789 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
SCHEMBL17183136 0.89 ALDH1A1 (0.54) ALDH1A1HSD17B10HIF1ACYP1B1TSHR
SCHEMBL9609703 0.88 HPRT1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1TSHR
SCHEMBL8372675 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRTDP1CYP1A2
SCHEMBL29349685 0.79 CYP2A6 (0.60) ALDH1A1TSHRCYP2A6CYP1A2TRPA1
SCHEMBL29707927 0.79 CYP2A6 (0.60) ALDH1A1TSHRCYP2A6CYP1A2TRPA1
SCHEMBL44621 0.79 CYP2A6 (0.60) ALDH1A1TSHRCYP2A6CYP1A2TRPA1
SCHEMBL6041434 0.79 MAPK1 (0.41) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL10391875 0.79 ALDH1A1 (0.34) ALDH1A1HSD17B10HIF1ACYP1B1TSHR
SCHEMBL25463751 0.79 CYP1A2 (0.53) ALDH1A1HSD17B10HIF1ACYP1B1TSHR
SCHEMBL11711988 0.79 AKR1B1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921243-B2 Fabrics comprising a photocatalyst to produce singlet oxygen from ambient oxygen VENTANA RESEARCH CORPORATION 2014-12-30 US disclosed
US-8921243-B2 Fabrics comprising a photocatalyst to produce singlet oxygen from ambient oxygen VENTANA RESEARCH CORPORATION 2014-12-30 US disclosed
US-8481446-B2 Chemically-resistant coating composition VENTANA RESEARCH CORPORATION 2013-07-09 US disclosed
US-8481446-B2 Chemically-resistant coating composition VENTANA RESEARCH CORPORATION 2013-07-09 US disclosed
US-20120135651-A1 Fabrics Comprising a Photocatalyst to Produce Singlet Oxygen from Ambient Oxygen VENTANA RESEARCH CORPORATION 2012-05-31 US disclosed
US-20120135651-A1 Fabrics Comprising a Photocatalyst to Produce Singlet Oxygen from Ambient Oxygen VENTANA RESEARCH CORPORATION 2012-05-31 US disclosed
US-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION VENTANA RESEARCH CORPORATION 2010-11-04 US disclosed
US-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION VENTANA RESEARCH CORPORATION 2010-11-04 US disclosed
WO-2010118180-A1 FABRICS COMPRISING A PHOTOCATALYST TO PRODUCE SINGLET OXYGEN FROM AMBIENT OXYGEN LOMBARDI JOHN L (US) 2010-10-14 WO disclosed
EP-0049628-B1 NONAPEPTIDE AND DECAPEPTIDE ANALOGS OF LHRH, USEFUL AS LHRH ANTAGONISTS, METHODS OF MAKING THEM, AND THEIR PHARMACEUTICAL USES SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed
EP-0021234-B1 NONAPEPTIDE AND DECAPEPTIDE DERIVATIVES OF LUTEINIZING HORMONE RELEASING HORMONE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1984-08-22 EP disclosed
US-4419347-A Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1983-12-06 US disclosed
US-4341767-A Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists SYNTEX INC. (US) 1982-07-27 US disclosed
EP-0049628-A2 Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists, methods of making them, and their pharmaceutical uses SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
EP-0021234-A1 Nonapeptide and decapeptide derivatives of luteinizing hormone releasing hormone, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1981-01-07 EP disclosed
US-4234571-A CONTRACEPTIVES, ANTIFERTILITY AGENTS SYNTEX (U.S.A.) INC. (US) 1980-11-18 US 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-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION DNMT1, VCL, DNMT3L ALDH1A1 1103/4885HSD17B10 3412/4885HIF1A 593/4885

“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.