SCHEMBL10033952

SCHEMBL10033952

O=C1c2ccccc2CCCC1Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.70
CYP19A1 P11511 3/20 0.67
HTR1A P08908 2/20 0.58
ACHE P22303 1/20 0.58
HTR7 P34969 1/20 0.52
MAOB P27338 1/20 0.51
CYP26A1 O43174 2/20 0.49

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
SCHEMBL3761876 0.90 CYP19A1 (0.80) SIGMAR1CYP19A1HTR1AACHEMAOB
SCHEMBL30275056 0.90 CYP19A1 (0.80) SIGMAR1CYP19A1HTR1AACHEMAOB
SCHEMBL28733987 0.90 CYP19A1 (0.80) SIGMAR1CYP19A1HTR1AACHEMAOB
SCHEMBL10689307 0.83 CYP26A1 (0.52) SIGMAR1CYP19A1HTR1AACHEMAOB
SCHEMBL15700140 0.82 ACHE (0.56) SIGMAR1CYP19A1HTR1AACHEHTR7
SCHEMBL3033688 0.81 CYP19A1 (0.77) SIGMAR1CYP19A1HTR1AACHEMAOB
SCHEMBL467521 0.81 ACHE (0.55) SIGMAR1CYP19A1HTR1AACHEHTR7
SCHEMBL31112302 0.80 CYP19A1 (0.70) SIGMAR1CYP19A1HTR1ACYP26A1
SCHEMBL7247938 0.80 CYP19A1 (0.70) SIGMAR1CYP19A1HTR1AACHECYP26A1
SCHEMBL31112261 0.80 CYP19A1 (0.70) SIGMAR1CYP19A1HTR1AMAOBCYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701684-B2 Chiral fluorinating reagents OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-07-11 US disclosed
US-20150284401-A1 CHIRAL FLUORINATING REAGENTS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2015-10-08 US disclosed
WO-2014068341-A2 CHIRAL FLUORINATING REAGENTS ISIS INNOVATION LIMITED (GB) 2014-05-08 WO disclosed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 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 (2 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-20120029197-A1 Method for Preparing Sulfur-Containing Compounds SULT1E1, SULT1A1, TST SIGMAR1 273/4885CYP19A1 2086/4885HTR1A 1224/4885
US-20150284401-A1 CHIRAL FLUORINATING REAGENTS TIAM1, AFF2, AFF1 SIGMAR1 158/4885CYP19A1 551/4885HTR1A 2139/4885

“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.