SCHEMBL10035101

SCHEMBL10035101

NCCNc1cccc2c(S)cccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.62
▸ CA4 P22748 2/20 0.62
▸ CA7 P43166 2/20 0.62
▸ CA9 Q16790 2/20 0.62
▸ CA14 Q9ULX7 2/20 0.62
▸ CA3 P07451 1/20 0.62
▸ CA6 P23280 1/20 0.62
▸ CA5A P35218 1/20 0.62
▸ CA5B Q9Y2D0 1/20 0.62
▸ HSD17B10 Q99714 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ RECQL P46063 1/20 0.61
▸ IDO1 P14902 4/20 0.54
▸ FERMT2 Q96AC1 4/20 0.47
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTR6 P50406 2/20 0.36

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
SCHEMBL30267896 1.00 CA12 (0.62) CA12CA4CA7CA9CA14
SCHEMBL30032396 0.79 CA12 (0.65) CA12CA4CA7CA9CA14
SCHEMBL22171683 0.78 CA12 (0.62) CA12CA4CA7CA9CA14
SCHEMBL12058849 0.77 MAPT (0.39) CA12CA4CA7CA9CA14
SCHEMBL233681 0.77 CA12 (1.00) CA12CA4CA7CA9CA14
SCHEMBL29634851 0.77 CA12 (1.00) CA12CA4CA7CA9CA14
Hydrochloric Acid SCHEMBL336183 0.76 ALDH1A1 (1.00) CA12CA4CA7CA9CA14
SCHEMBL1684270 0.76 CA12 (0.96) CA12CA4CA7CA9CA14
Hydrochloric Acid SCHEMBL180592 0.76 ALDH1A1 (1.00) CA12CA4CA7CA9CA14
Hydrochloric Acid SCHEMBL8749395 0.76 ALDH1A1 (1.00) CA12CA4CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035328-A1 METHODS FOR FORMING DYED MICROSPHERES AND POPULATIONS OF DYED MICROSPHERES HOFFACKER KURT D (US) 2012-02-09 — — 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-20120035328-A1 METHODS FOR FORMING DYED MICROSPHERES AND POPULATIONS OF DYED MICROSPHERES CD68, CD14, MYADM CA12 1450/4885CA4 2014/4885CA7 716/4885

“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.

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