SCHEMBL26054748

SCHEMBL26054748

Cc1ccc(C(=O)C(C)(C)C)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CNR2 P34972 4/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP2A6 P11509 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SLC16A3 O15427 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ MCL1 Q07820 1/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36

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
SCHEMBL23682724 0.90 KDM4E (0.49) KDM4EALDH1A1MAPK1L3MBTL1CYP2C19
SCHEMBL25736544 0.82 NR4A1 (0.48) KDM4EALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL7717844 0.79 CYP1A2 (0.59) CYP1A2CNR2CNR1CYP2A6CYP3A4
SCHEMBL23815802 0.78 ALDH1A1 (0.41) CYP1A2KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL669648 0.78 CYP1A2 (0.56) CYP1A2KDM4EALDH1A1CNR2CNR1
SCHEMBL31347531 0.78 CYP1A2 (0.56) CYP1A2KDM4EALDH1A1CNR2CNR1
SCHEMBL7829452 0.78 CYP1A2 (0.56) CYP1A2ALDH1A1CNR2CNR1CYP2A6
SCHEMBL405225 0.78 CYP1A2 (0.56) CYP1A2KDM4EALDH1A1CNR2CNR1
SCHEMBL6914124 0.76 CYP1A2 (0.54) CYP1A2KDM4EALDH1A1CNR2CNR1
SCHEMBL601658 0.76 CYP1A2 (0.54) CYP1A2ALDH1A1CNR2CNR1CYP2A6

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-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 — — 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 CYP1A2 3341/4885KDM4E 1284/4885ALDH1A1 3246/4885

“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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