SCHEMBL3781275

SCHEMBL3781275

O=C(OCc1ccccc1)C1(Cc2cccnc2)CCCC1O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.49
CYP19A1 P11511 1/20 0.49
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
GRIN2B Q13224 1/20 0.41
OPRK1 P41145 1/20 0.39
FKBP1A P62942 1/20 0.39
CHRNA7 P36544 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL1042314 0.85 NAPRT (0.44) CYP17A1CYP19A1KMT2A
SCHEMBL27798402 0.84 CYP17A1 (0.45) CYP17A1CYP19A1LMNAKMT2ATDP1
SCHEMBL3785614 0.83 CYP17A1 (0.46) CYP17A1CYP19A1LMNAKMT2ATDP1
SCHEMBL4807305 0.77 KDM4E (0.51) LMNAKMT2A
SCHEMBL3779088 0.77 DDB1 (0.39) KMT2ATDP1CYP3A4CYP2C9
SCHEMBL3776673 0.77 CPB2 (0.40)
SCHEMBL3787665 0.76 KCNA5 (0.42) TDP1CYP3A4CYP2D6CYP2C9GRIN2B
SCHEMBL3787741 0.74 CYP17A1 (0.47) CYP17A1CYP19A1LMNAKMT2ATDP1
SCHEMBL1043158 0.72 SMN1; SMN2 (0.44) LMNACYP2D6CYP2C9GRIN2B
SCHEMBL6060766 0.72 HPGD (0.38) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309341-B2 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them Les Laboratories Server (FR) 2012-11-13 US disclosed
US-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-12-30 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-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them CYP2B6, CYP2A6, MC5R CYP17A1 1179/4885CYP19A1 1554/4885LMNA 4673/4885

“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.