SCHEMBL17988488

SCHEMBL17988488

Cc1cc(C(C)C)c(C(C)(C)C)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ CYP3A4 P08684 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TERT O14746 1/20 0.32
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ TDP1 Q9NUW8 3/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL25555727 0.78 POLB (0.61) POLBGAAGFERCYP3A4TSHR
SCHEMBL24910873 0.78 CYP3A4 (0.50) POLBCYP3A4TSHRMAPK1ALDH1A1
SCHEMBL23772061 0.77 POLB (0.33) POLBGAAGFERALDH1A1CYP1A2
SCHEMBL169738 0.76 POLB (0.53) POLBGAAGFERCYP3A4TSHR
SCHEMBL19840416 0.76 CYP3A4 (0.55) POLBGAAGFERCYP3A4TSHR
SCHEMBL24116135 0.76 CYP3A4 (0.55) POLBCYP3A4TSHRMAPK1ALDH1A1
SCHEMBL10385743 0.76 CYP3A4 (0.55) POLBCYP3A4TSHRMAPK1ALDH1A1
SCHEMBL17988495 0.76 ALOX15 (0.48) POLBCYP3A4TSHRMAPK1ALDH1A1
SCHEMBL17988492 0.73 CFTR (0.40) POLBGFERCYP3A4TSHRALDH1A1
SCHEMBL15927420 0.72 CYP3A4 (0.44) POLBCYP3A4TSHRMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951071-B2 Dihydropyridone P1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-24 — — US disclosed
US-20160340360-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-24 — — US disclosed
US-9409908-B2 Dihydropyridone p1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 — — 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-20160340360-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 POLB 4323/4885GAA 3208/4885GFER 3072/4885

“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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