SCHEMBL10312290

SCHEMBL10312290

CCCCC(CC)CN(CC(CC)CCCC)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.48
ALDH1A1 P00352 5/20 0.48
TSHR P16473 5/20 0.48
TDP1 Q9NUW8 2/20 0.45
CA2 P00918 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9449561 0.86 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRTDP1CA2
SCHEMBL3792378 0.82 ALDH1A1 (0.48) CYP3A4ALDH1A1TSHRTDP1CA2
SCHEMBL3792375 0.82 ALDH1A1 (0.47) CYP3A4ALDH1A1TSHRTDP1CA2
SCHEMBL1529113 0.82 ALDH1A1 (0.47) CYP3A4ALDH1A1TSHRTDP1CA2
SCHEMBL12256310 0.79 ALDH1A1 (0.44) CYP3A4ALDH1A1TSHRTDP1CA2
Sulfuric Acid SCHEMBL3689767 0.76 ALDH1A1 (0.47) CYP3A4ALDH1A1TSHRTDP1CA2
Sulfuric Acid SCHEMBL3689763 0.76 ALDH1A1 (0.47) CYP3A4ALDH1A1TSHRTDP1CA2
SCHEMBL12891821 0.76 CYP3A4 (0.41) CYP3A4ALDH1A1TSHRTDP1CA2
SCHEMBL2498044 0.75 ALDH1A1 (0.48) CYP3A4ALDH1A1TSHRTDP1CA2
SCHEMBL166842 0.75 ALDH1A1 (0.58) CYP3A4ALDH1A1TSHRTDP1CA2

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-20120174324-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-07-12 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-20120174324-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE IK, H1-0, H1-5 CYP3A4 441/4885ALDH1A1 244/4885TSHR 2903/4885

“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.