SCHEMBL3798516

SCHEMBL3798516

O=C(O)CCc1cccc2c1oc1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.57
KDM4E B2RXH2 1/20 0.47
PARP1 P09874 1/20 0.46
MCL1 Q07820 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
DRD4 P21917 1/20 0.42
KEAP1 Q14145 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
LMNA P02545 1/20 0.41
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAOA P21397 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL20402334 0.91 ALOX5 (0.55) ALOX5KDM4EMCL1NPSR1DRD4
SCHEMBL27318901 0.90 KDM4E (0.60) ALOX5KDM4EPARP1LMNAMAOA
SCHEMBL13990693 0.89 PARP1 (0.51) ALOX5PARP1NPSR1PTGER1PTGER4
SCHEMBL11192241 0.84 ALOX5 (0.60) ALOX5KDM4EMCL1DRD4HDAC8
SCHEMBL4867269 0.83 PARP1 (0.47) ALOX5KDM4EPARP1MCL1NPSR1
SCHEMBL3860960 0.81 ALOX5 (0.42) ALOX5KDM4EPARP1MCL1PTGER1
SCHEMBL1401562 0.81 PARP1 (0.46) ALOX5PARP1NPSR1PTGER1PTGER4
SCHEMBL30320123 0.81 PARP1 (0.46) ALOX5KDM4EPARP1NPSR1PTGER1
SCHEMBL198085 0.81 PARP1 (0.46) ALOX5KDM4EPARP1NPSR1PTGER1
SCHEMBL3860950 0.80 CYP1A2 (0.45) ALOX5KDM4EPARP1PTGER1PTGER4

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 2 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

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 ALOX5 1012/4885KDM4E 3601/4885PARP1 4286/4885

“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.