SCHEMBL12607754

SCHEMBL12607754

Cc1cc2c(s1)[C@H]1CC[C@@H]2C1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL12607739 1.00 ALDH1A1 (0.30) ALDH1A1HPGDSMN1; SMN2CHRNB2CHRNA4
SCHEMBL14877786 1.00 ALDH1A1 (0.30) ALDH1A1HPGDSMN1; SMN2CHRNB2CHRNA4
SCHEMBL12607743 0.92 ALDH1A1 (0.32) ALDH1A1HPGDSMN1; SMN2
SCHEMBL12607740 0.91 GPR35 (0.33) ALDH1A1HPGDSMN1; SMN2
SCHEMBL12607748 0.87 CHRNB2 (0.32) ALDH1A1HPGDCHRNB2CHRNA4
SCHEMBL13626118 0.75
SCHEMBL12044730 0.75 TMIGD3 (0.37) ALDH1A1HPGD
SCHEMBL13351651 0.75 MAPK1 (0.30)
SCHEMBL22789166 0.72 ALDH1A1 (0.31) ALDH1A1HPGDSMN1; SMN2
SCHEMBL13363462 0.72 RARG (0.35) CHRNB2CHRNA4

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-8426424-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2013-04-23 US disclosed
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof CGI PHARMACEUTICALS, INC. 2011-05-19 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-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 ALDH1A1 3393/4885HPGD 1470/4885SMN1; SMN2 3343/4885

“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.