SCHEMBL6778756

SCHEMBL6778756

COc1cccc(N(C)c2ccccc2-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.49
▸ MTNR1B P49286 5/20 0.49
▸ HSD17B2 P37059 5/20 0.46
▸ HSD17B1 P14061 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL10397003 0.86 MTNR1A (0.47) MTNR1AMTNR1BHSD17B2HSD17B1KDM4E
SCHEMBL6778392 0.83 CES1 (0.49) GAALMNA
SCHEMBL28563328 0.83 ABL1 (0.50) KDM4ELMNA
SCHEMBL6724005 0.82 CHKA (0.39) L3MBTL1LMNAHTTKMT2ANPSR1
SCHEMBL6784467 0.82 ALDH1A1 (0.44) KDM4EMAPK1USP2CYP1A2HSD17B10
SCHEMBL27498154 0.82 PTPN1 (0.41) MAPK1HSD17B10ALDH1A1L3MBTL1LMNA
SCHEMBL1134087 0.80 MTNR1A (0.60) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL6723411 0.80 PTPN1 (0.42) MAPK1HSD17B10ALDH1A1HTTKMT2A
SCHEMBL14466391 0.80 CRHR1 (0.37) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16520273 0.80 HSD17B1 (0.41) HSD17B2HSD17B1ALDH1A1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 — — US disclosed
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 — — 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-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein CETP, MTTP, LCAT MTNR1A 1599/4885MTNR1B 1482/4885HSD17B2 739/4885

“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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