SCHEMBL24353301

SCHEMBL24353301

COc1cc(OC)cc(C(C)(C)CSC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP1A1 P04798 3/20 0.35
▸ CYP1B1 Q16678 3/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CNR2 P34972 7/20 0.33
▸ CNR1 P21554 6/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2E1 P05181 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32

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
SCHEMBL15506135 0.77 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL845798 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP1A1CYP1B1CA1
SCHEMBL17129735 0.73 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL26032718 0.72 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL25965182 0.72 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HSD17B10CYP1A1CYP1B1
SCHEMBL278798 0.71 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP1A1CYP1B1CA1
SCHEMBL23162447 0.71 ALDH1A1 (0.42) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL23802246 0.71 CNR2 (0.50) ALDH1A1CNR2CNR1TRPV1
SCHEMBL23162732 0.69 RXRA (0.42) ALDH1A1CNR2CNR1KDM4EGAA
SCHEMBL18944636 0.69 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1B1CA1CA2

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-11311609-B2 Regulating chimeric antigen receptors DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-26 — — 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-11311609-B2 Regulating chimeric antigen receptors NFATC1, TNFRSF9, IL2RA ALDH1A1 4691/4885HPGD 4508/4885SMN1; SMN2 2808/4885

“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.

Send feedback