SCHEMBL24835508

SCHEMBL24835508

CC(C)c1cc2ccc(CC(C)c3cc4cccnc4s3)cc2s1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.39
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
PRKCI P41743 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2737296 0.80 CYP2A6 (0.50) CYP2A6PRKCIALDH1A1
SCHEMBL22758448 0.79 HTR2A (0.35) HTR2AHTR2CHTR2BSIGMAR1ALDH1A1
SCHEMBL20372824 0.75 CYP2A6 (0.49) CYP2A6ALDH1A1
SCHEMBL14260571 0.74 GABRA1 (0.40) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL22363299 0.72 CYP2A6 (0.47) CYP2A6
SCHEMBL22374289 0.72 LOXL2 (0.52) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL20098721 0.71 RAB9A (0.43) CYP2A6
SCHEMBL1769790 0.69 CYP2A6 (0.47) CYP2A6HTR2AHTR2CHTR2BPRKCI
SCHEMBL22063833 0.68 HTR2A (0.33) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL25515309 0.68 ALOX5 (0.34) HTR2AHTR2CHTR2B

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-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 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-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CYP2A6 2675/4885HTR2A 3908/4885HTR2C 4047/4885

“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.