SCHEMBL6206954

SCHEMBL6206954

c1ccc2c(c1)cc1c3occcc3c3c4ccccc4sc3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
NQO1 P15559 1/20 0.35
NQO2 P16083 1/20 0.35
KMT2A Q03164 5/20 0.34
MAPT P10636 4/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
ESR2 Q92731 3/20 0.33
ESR1 P03372 2/20 0.33
GPR3 P46089 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
HCRTR1 O43613 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTPN1 P18031 1/20 0.32
HSD17B10 Q99714 2/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL29634291 0.76 ALDH1A1 (0.39) KMT2AMAPTRAB9AMEN1ESR1
SCHEMBL722895 0.76 ALDH1A1 (0.39) KMT2AMAPTRAB9AMEN1ESR1
SCHEMBL160528 0.76 ALDH1A1 (0.39) KMT2AMAPTRAB9AMEN1ESR1
SCHEMBL29663893 0.74 ALDH1A1 (0.40) NQO2KMT2AMAPTRAB9AMEN1
SCHEMBL164352 0.74 ALDH1A1 (0.40) NQO2KMT2AMAPTRAB9AMEN1
SCHEMBL19876303 0.71
SCHEMBL4159164 0.71 TRPM4 (0.47) TNKSTNKS2NQO1NQO2KMT2A
SCHEMBL14951318 0.71 PTPN1 (0.46) TNKSTNKS2NQO1NQO2KMT2A
SCHEMBL16283926 0.71 ALDH1A1 (0.46) TNKSTNKS2NQO1NQO2KMT2A
SCHEMBL17383050 0.71 NQO2 (0.44) TNKSTNKS2NQO1NQO2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881850-B2 Heterocyclically annellated indenochromene derivatives RODENSTOCK GMBH (DE) 2005-04-19 US disclosed
EP-1144416-B1 HETEROCYCLICALLY ANELLATED INDENOCHROMENE DERIVATIVES RODENSTOCK GMBH (DE) 2005-03-02 EP disclosed
US-20040092743-A1 Heterocyclically annellated indenochromene derivatives OPTISCHE WERKE G. RODENSTOCK 2004-05-13 US disclosed
US-6660727-B1 Photochromic heterocyclically anellated indenochromene compounds RODENSTOCK GMBH (DE) 2003-12-09 US disclosed
EP-1144416-A1 HETEROCYCLICALLY ANELLATED INDENOCHROMENE DERIVATIVES Optische Werke G. Rodenstock (DE) 2001-10-17 EP disclosed
WO-2001034609-A1 HETEROCYCLICALLY ANELLATED INDENOCHROMENE DERIVATIVES OPTISCHE WERKE G. RODENSTOCK (DE) 2001-05-17 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 (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-20040092743-A1 Heterocyclically annellated indenochromene derivatives ALDH1A2, INF2, CYP1B1 TNKS 2455/4885TNKS2 1391/4885NQO1 235/4885

“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.