SCHEMBL3820787

SCHEMBL3820787

C=CCC(=O)c1ccc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL9751717 0.79 TSHR (0.57) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11066067 0.78
SCHEMBL14436880 0.77 TSHR (0.84) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL6536779 0.75
SCHEMBL18205594 0.75
SCHEMBL12430457 0.74
SCHEMBL5115040 0.74
SCHEMBL10676113 0.74
SCHEMBL11572549 0.74
SCHEMBL5998335 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0100952-A1 Substituted azolylallyl ketones and carbinols BAYER AG (DE) 1984-02-22 EP claimed
EP-1475370-B1 OPTICALLY ACTIVE AZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MITSUI CHEMICALS INC (JP) 2009-08-05 EP disclosed
EP-1475370-B1 OPTICALLY ACTIVE AZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MITSUI CHEMICALS INC (JP) 2009-08-05 EP disclosed
US-7271185-B2 Optically active azole derivative and process for producing the same MITSUI CHEMICALS, INC. (JP) 2007-09-18 US disclosed
EP-1475370-A4 OPTICALLY ACTIVE AZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MITSUI CHEMICALS INC (JP) 2005-07-13 EP disclosed
US-20050085521-A1 Optically active azole derivative and process for producing the same MITSUI CHEMICALS, INC. (JP) 2005-04-21 US disclosed
EP-1475370-A1 OPTICALLY ACTIVE AZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Mitsui Chemicals, Inc. (JP) 2004-11-10 EP disclosed
JP-2004131462-A OPTICALLY ACTIVE AZOLE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS INC 2004-04-30 JP disclosed
WO-2003068758-A1 OPTICALLY ACTIVE AZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MITSUI CHEMICALS, INC. (JP) 2003-08-21 WO disclosed
EP-0159586-B1 AZOLYL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1988-11-30 EP disclosed
EP-0100952-A1 Substituted azolylallyl ketones and carbinols BAYER AG (DE) 1984-02-22 EP disclosed
EP-0100952-A1 Substituted azolylallyl ketones and carbinols BAYER AG (DE) 1984-02-22 EP disclosed
EP-0100952-A1 Substituted azolylallyl ketones and carbinols BAYER AG (DE) 1984-02-22 EP 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-20050085521-A1 Optically active azole derivative and process for producing the same ADH1C, ADH1A, ADH5 TSHR 4336/4885RAB9A 4405/4885SMN1; SMN2 4806/4885

“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.