SCHEMBL9263132

SCHEMBL9263132

COc1cc(OC)cc(-c2ccccc2C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.59
▸ ABCB1 P08183 5/20 0.59
▸ BCR P11274 5/20 0.59
▸ CYP1A1 P04798 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2E1 P05181 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C8 P10632 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2A6 P11509 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP4B1 P13584 2/20 0.47
▸ CYP2B6 P20813 2/20 0.47
▸ CYP3A5 P20815 2/20 0.47
▸ CYP2A7 P20853 2/20 0.47
▸ CYP3A7 P24462 2/20 0.47
▸ CYP2F1 P24903 2/20 0.47
▸ CYP2C18 P33260 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2J2 P51589 2/20 0.47

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
SCHEMBL12203517 0.86 ALDH1A1 (0.49) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL28972370 0.84 ABL1 (0.58) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL12203379 0.83 ABL1 (0.56) ABL1ABCB1BCRCA1CA2
SCHEMBL31090715 0.77 ABL1 (0.50) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL28582164 0.76 TRPA1 (0.43) ABL1ABCB1BCRCYP1A2CYP3A4
SCHEMBL9261481 0.75 ATM (0.47) TRPA1TP53TSHRALDH1A1KMT2A
SCHEMBL23746850 0.75 TRPA1 (0.45) CA1CA2TRPA1TSHRALDH1A1
SCHEMBL9254216 0.74 CYP1A1 (0.53) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL29833702 0.73 ALDH1A1 (0.46) CYP2A6CYP2B6CA2TRPA1TSHR
SCHEMBL291792 0.73 ALDH1A1 (0.46) CYP2A6CYP2B6CA2TRPA1TSHR

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 — — 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP ABL1 2940/4885ABCB1 121/4885BCR 306/4885

“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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