SCHEMBL12879201

SCHEMBL12879201

CCCCOc1cccc(-c2cccc(Cc3nnc(C)o3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ DHFR P00374 8/20 0.44
▸ APLNR P35414 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ DHODH Q02127 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
SCHEMBL12863942 0.84 POLB (0.50) SMN1; SMN2APLNRDHODH
SCHEMBL197506 0.76 CYP19A1 (0.64) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12863944 0.75 PTK2 (0.57) SMN1; SMN2DHFRAPLNRKDM4EMTNR1A
SCHEMBL13183083 0.74 SMN1; SMN2 (0.49) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12826507 0.74 NR1H4 (0.51) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL21368786 0.73 RAB9A (0.42) SMN1; SMN2MTNR1AMTNR1B
SCHEMBL12653028 0.71 LTA4H (0.61) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2151432 0.70 TSHR (0.69) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL17143201 0.70 TSHR (0.69) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL17142884 0.70 TSHR (0.69) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 — — 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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY MGLL, FAAH, FAAH2 CYP1A2 1467/4885CYP19A1 1846/4885CYP2C9 1728/4885

“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.

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