SCHEMBL3402977

SCHEMBL3402977

O=C(O)Cc1cccc2c1OCO2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.50
FAAH O00519 1/20 0.48
AKR1B1 P15121 1/20 0.46
MTNR1A P48039 6/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALKBH1 Q13686 1/20 0.43
EED O75530 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
AGBL2 Q5U5Z8 1/20 0.41

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
SCHEMBL3639598 0.88 MTNR1A (0.59) AKR1B1MTNR1ATDP1KDM4E
SCHEMBL28031245 0.84 KDM4C (0.46) KDM4CFAAHMTNR1AALKBH1EED
SCHEMBL6998774 0.84 MTNR1A (0.51) KDM4CFAAHMTNR1AALKBH1EED
SCHEMBL166877 0.83 KDM4C (0.51) KDM4CFAAHMTNR1AALKBH1EED
SCHEMBL14665119 0.81 MTNR1A (0.46) KDM4CFAAHMTNR1AEEDPOLB
SCHEMBL14664161 0.80 MTNR1A (0.44) KDM4CFAAHMTNR1AEEDPOLB
SCHEMBL95775 0.80 MTNR1A (0.46) KDM4CFAAHMTNR1AEEDLMNA
SCHEMBL30684116 0.79 AKR1B1 (0.50) AKR1B1TDP1KDM4EHPGD
SCHEMBL7377233 0.78 KDM4C (0.47) KDM4CFAAHMTNR1AALKBH1EED
SCHEMBL9160573 0.78 MTNR1A (0.56) KDM4CFAAHMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487121-B2 Chromane derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-07-16 US disclosed
US-20100311778-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-12-09 US disclosed
EP-2254879-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2010-12-01 EP disclosed
WO-2009084034-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-07-09 WO disclosed
EP-0661271-B1 AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
US-5658923-A USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-08-19 US disclosed
EP-0661271-A1 AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-07-05 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 (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-20100311778-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS TRPV3, TRPV2, TRPV1 KDM4C 3874/4885FAAH 1303/4885AKR1B1 1498/4885

“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.