SCHEMBL11037686

SCHEMBL11037686

CCC(=O)c1ccc(CF)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ RAB9A P51151 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ THRA P10827 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ HTR7 P34969 1/20 0.41
▸ HSD17B3 P37058 1/20 0.41
▸ PLK1 P53350 1/20 0.39

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
SCHEMBL28199310 0.83 MAPT (0.50) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL8051337 0.83 SMN1; SMN2 (0.70) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL20278348 0.82 MAPT (0.57) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL1687863 0.82 ALDH1A1 (0.64) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL5630152 0.82 KMT2A (0.60) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL13831355 0.80 RAB9A (0.39) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL9234729 0.80 MAPT (0.55) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
Ethyne SCHEMBL8050785 0.79 SMN1; SMN2 (0.64) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL16057598 0.78 PTPN1 (0.63) RAB9ANPC1THRATHRB
SCHEMBL2643703 0.78 LOXL2 (0.57) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59190982-A — — None — — JP disclosed
EP-2968275-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-29 — — EP disclosed
US-20160304499-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-20 — — US disclosed
WO-2013166037-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF EYE DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-11-07 — — WO disclosed
JP-S59190982-A 4'-FLUOROMETHYL-3-AMINO-2-METHYL-SUBSTITUTED PROPIOPHENONE DERIVATIVE HOKURIKU SEIYAKU CO LTD 1984-10-29 — — JP 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-20160304499-A1 LXR MODULATORS NR1H2, NR1H3, NR1H4 MAPT 3581/4885SMN1; SMN2 4731/4885L3MBTL1 3019/4885

“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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