SCHEMBL13181522

SCHEMBL13181522

CN1Cc2ccccc2CC1C(O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
NOTUM Q6P988 1/20 0.37
CARM1 Q86X55 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
ACE P12821 2/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
POLB P06746 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12650870 0.83 MAOA (0.39) MAOAMAOBNOTUMOPRM1OPRL1
SCHEMBL13416638 0.83 MAOA (0.39) MAOAMAOBNOTUMOPRM1OPRL1
SCHEMBL19356295 0.82 CARM1 (0.36) MAOAMAOBCARM1OPRM1OPRL1
SCHEMBL23349351 0.82 CARM1 (0.36) MAOAMAOBCARM1OPRM1OPRL1
SCHEMBL13693198 0.79 DPP8 (0.39) MAOAMAOBOPRM1OPRL1ACE
SCHEMBL19356297 0.76 ALDH1A1 (0.40) NOTUMCARM1OPRM1OPRL1ACE
SCHEMBL19356296 0.76 ALDH1A1 (0.40) NOTUMCARM1OPRM1OPRL1ACE
SCHEMBL4692862 0.73 NOTUM (0.41) NOTUMACEPOLBAPOBEC3AAPOBEC3G
SCHEMBL8324725 0.72 MAOA (0.43) MAOAMAOBNOTUMOPRM1OPRL1
SCHEMBL15222058 0.72 MAOA (0.43) MAOAMAOBNOTUMOPRM1OPRL1

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-20100234334-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2010-09-16 US disclosed
US-20100093685-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. 2010-04-15 US disclosed
US-20100041633-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2010-02-18 US disclosed
WO-2008095806-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2008-08-14 WO disclosed
WO-2008095809-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2008-08-14 WO disclosed
WO-2008095808-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2008-08-14 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 (3 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-20100041633-A1 NITRIC OXIDE RELEASING STEROIDS CYP11B1, CYP11B2, NOS1 MAOA 653/4885MAOB 552/4885NOTUM 750/4885
US-20100093685-A1 NITRIC OXIDE RELEASING STEROIDS NR3C1, CYP11B1, NOS1 MAOA 676/4885MAOB 560/4885NOTUM 1977/4885
US-20100234334-A1 NITRIC OXIDE RELEASING STEROIDS NOS1, NR3C1, NOS2 MAOA 489/4885MAOB 356/4885NOTUM 886/4885

“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.