SCHEMBL6933131

SCHEMBL6933131

CC(CN)Sc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.42
HTR3A P46098 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
HIF1A Q16665 1/20 0.42
NR1H2 P55055 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC6A2 P23975 1/20 0.41
ABAT P80404 1/20 0.38
ESR1 P03372 1/20 0.38
PDCD1 Q15116 1/20 0.38
ESR2 Q92731 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CA2 P00918 1/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL9856484 0.81 ESR1 (0.45) TAAR1TSHRHIF1ANR1H2ALOX15
SCHEMBL20449068 0.78 MAOA (0.47) TAAR1KDM4ESLC6A2
SCHEMBL10338884 0.75 NR1H2 (0.50) TAAR1TSHRNFKB1HIF1ANR1H2
SCHEMBL3724500 0.75 NR1H2 (0.50) TAAR1TSHRNFKB1HIF1ANR1H2
SCHEMBL11556171 0.75 ESR1 (0.40) TSHRHIF1ANR1H2KDM4EALOX15
SCHEMBL416542 0.72 ALDH1A1 (0.41) TSHRNR1H2ESR1ESR2CA2
SCHEMBL4960257 0.70 ESR1 (0.46) TAAR1TSHRNFKB1HIF1ANR1H2
SCHEMBL19788328 0.70 NR1H2 (0.44) TAAR1NFKB1HIF1ANR1H2KDM4E
SCHEMBL10633915 0.70 ESR1 (0.52) TAAR1NFKB1HIF1ANR1H2KDM4E
SCHEMBL1727364 0.70 NR1H2 (0.44) TAAR1NFKB1HIF1ANR1H2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030199560-A1 Bisaryl compound and medicament for cancer treatment comprising the same KYOWA HAKKO KOGYO CO., LTD. 2003-10-23 US disclosed
US-6608061-B2 Antiproliferative agents KYOMA HAKKO KOGYO CO., LTD. (JP) 2003-08-19 US disclosed
US-20030018070-A1 BISARYL COMPOUND AND MEDICAMENT FOR CANCER TREATMENT COMPRISING THE SAME FUJIFILM CORPORATION (JP) 2003-01-23 US disclosed
EP-0990439-A1 BISARYL COMPOUNDS AND CANCER REMEDIES CONTAINING THE SAME KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-04-05 EP 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 (2 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-20030018070-A1 BISARYL COMPOUND AND MEDICAMENT FOR CANCER TREATMENT COMPRISING THE SAME AR, NR5A1, SRD5A1 TAAR1 935/4885HTR3A 942/4885TSHR 749/4885
US-20030199560-A1 Bisaryl compound and medicament for cancer treatment comprising the same AR, NR5A1, SRD5A1 TAAR1 935/4885HTR3A 942/4885TSHR 749/4885

“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.