SCHEMBL12896064

SCHEMBL12896064

CC(C)Oc1cnc2cc[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.41
▸ MMP12 P39900 1/20 0.40
▸ APP P05067 1/20 0.38
▸ CBFB Q13951 1/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.37
▸ TTBK1 Q5TCY1 1/20 0.37
▸ TTBK2 Q6IQ55 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ CDK1 P06493 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 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
SCHEMBL25469530 0.84 GABRA1 (0.39) BRD4MMP12APPPIK3C3MEN1
SCHEMBL31200193 0.81 MMP12 (0.56) BRD4MMP12APPPIK3C3MEN1
SCHEMBL12925129 0.81 MMP12 (0.56) BRD4MMP12APPPIK3C3MEN1
SCHEMBL1150521 0.78 BRD4 (0.42) BRD4MMP12APPCBFBPIK3C3
SCHEMBL26331090 0.75 MMP12 (0.67) MMP12CBFBPOLBKMT2APDE3B
SCHEMBL27927096 0.74 ALDH1A1 (0.52) BRD4MMP12APPPIK3C3POLB
SCHEMBL10288701 0.74 BRD4 (0.44) BRD4MMP12APPPIK3C3MAPK1
SCHEMBL22560747 0.73 KDR (0.49) BRD4TTBK1TTBK2MAPK1CDK1
SCHEMBL31200352 0.73 BRD4 (0.39) BRD4MMP12APPPIK3C3MEN1
SCHEMBL14856794 0.72 PIK3C3 (0.42) BRD4MMP12APPPIK3C3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 — — US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 — — US disclosed
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — 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 (2 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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 BRD4 1016/4885MMP12 2037/4885APP 2494/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 BRD4 155/4885MMP12 658/4885APP 3998/4885

“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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