SCHEMBL6837085

SCHEMBL6837085

CSCC[CH]N1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CASP3 P42574 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GAA P10253 1/20 0.37
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
MAP2K7 O14733 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL5177139 0.79 DRD3 (0.44) ALDH1A1CASP3RAB9ASENP8SENP7
SCHEMBL6050329 0.75 NR1H2 (0.46) ALDH1A1TDP1CDC25ACA12CA9
SCHEMBL6329301 0.75 DRD3 (0.43) ALDH1A1CASP3RAB9ASENP8SENP7
SCHEMBL8331683 0.74 NR1H2 (0.49) ALDH1A1CDC25ACA12CA9
SCHEMBL8332447 0.74 NR1H2 (0.49) ALDH1A1CDC25ACA12CA9
SCHEMBL8328628 0.74 NR1H2 (0.49) ALDH1A1CDC25ACA12CA9
SCHEMBL6214680 0.74 DRD3 (0.40) ALDH1A1CASP3RAB9ASENP8SENP7
SCHEMBL27473685 0.73 ALDH1A1 (0.40) ALDH1A1CASP3RAB9ASMN1; SMN2GAA
SCHEMBL1307183 0.72 NPC1 (0.62) CASP3NPC1RAB9ASMN1; SMN2SENP8
SCHEMBL17077234 0.71 HEXA (0.45) ALDH1A1TDP1

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-20040043029-A1 Novel antibodies reactive with human carcinomas BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 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-20040043029-A1 Novel antibodies reactive with human carcinomas LY96, FUCA1, FUCA2 ALDH1A1 4306/4885CASP3 4090/4885NPC1 3473/4885

“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.