SCHEMBL3982415

SCHEMBL3982415

O=C1CCCC(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
SIGMAR1 Q99720 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GBA1 P04062 1/20 0.46
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
CCR3 P51677 1/20 0.42
GRIN2B Q13224 2/20 0.41
CYP19A1 P11511 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
Hydrochloric Acid SCHEMBL28729781 0.95 SIGMAR1 (0.48) NOS3NOS1NOS2SIGMAR1CYP3A4
SCHEMBL25698026 0.95 NOS3 (0.45) NOS3NOS1NOS2SIGMAR1CYP3A4
SCHEMBL4865573 0.89 GBA1 (0.48) NOS3NOS1NOS2SIGMAR1GBA1
SCHEMBL6399920 0.89 GBA1 (0.53) NOS3NOS1NOS2SIGMAR1GBA1
SCHEMBL4865561 0.89 GBA1 (0.48) NOS3NOS1NOS2SIGMAR1GBA1
SCHEMBL3699320 0.86 GBA1 (0.50) NOS3NOS1NOS2SIGMAR1GBA1
SCHEMBL29114052 0.85 NOS3 (0.41) NOS3NOS1NOS2SIGMAR1CYP3A4
SCHEMBL11808959 0.84 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19
SCHEMBL6398813 0.84 GBA1 (0.52) SIGMAR1GBA1DDB1CRBNCCR3
SCHEMBL5846498 0.83 HCRTR1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US disclosed
EP-1828197-B1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARM GMBH (DE) 2009-05-13 EP disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
EP-1828197-A1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE Solvay Pharmaceuticals GmbH (DE) 2007-09-05 EP disclosed
WO-2006063615-A1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17β-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARMACEUTICALS GMBH (DE) 2006-06-22 WO disclosed
US-20050176742-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-11 US disclosed
US-20050038053-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-17 US disclosed
EP-0863977-B1 PERFUME BASE COMPOSITION KAO CORP (JP) 1999-10-20 EP disclosed
US-5962403-A STABILITY KAO CORPORATION (JP) 1999-10-05 US disclosed
EP-0863977-A1 PERFUME BASE COMPOSITION Kao Corporation (JP) 1998-09-16 EP disclosed
WO-1997006234-A1 PERFUME BASE COMPOSITION KAO CORPORATION (JP) 1997-02-20 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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 NOS3 2860/4885NOS1 2814/4885NOS2 2951/4885
US-20050176742-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 NOS3 3025/4885NOS1 3019/4885NOS2 3308/4885
US-20050038053-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 NOS3 3025/4885NOS1 3019/4885NOS2 3308/4885

“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.