SCHEMBL17524121

SCHEMBL17524121

COc1ccc(/C(=C(/CCNC(=O)C(=O)NC2CCCCC2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ EPHX2 P34913 2/20 0.48
▸ LMNA P02545 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ EPHX1 P07099 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL19181031 1.00 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTEPHX2
SCHEMBL19201099 0.92 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTEPHX2
SCHEMBL17505996 0.90 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTEPHX2
SCHEMBL17505997 0.90 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTEPHX2
SCHEMBL17524125 0.86 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL17524238 0.85 ESR1 (0.57) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL17523976 0.81 LMNA (0.59) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL19181334 0.81 LMNA (0.59) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL19182066 0.80 ALDH1A1 (0.47) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL17506006 0.80 ALDH1A1 (0.47) SMN1; SMN2MAPTLMNAKMT2AMEN1

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-20170217914-A1 Novel Triarylethylene Compounds and Methods Using Same THE PENN STATE RESEARCH FOUNDATION 2017-08-03 — — US disclosed
US-20170217914-A1 Novel Triarylethylene Compounds and Methods Using Same THE PENN STATE RESEARCH FOUNDATION 2017-08-03 — — US disclosed
WO-2016022325-A1 NOVEL TRIARYLETHYLENE COMPOUNDS AND METHODS USING SAME THE PENN STATE RESEARCH FOUNDATION (US) 2016-02-11 — — WO 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-20170217914-A1 Novel Triarylethylene Compounds and Methods Using Same CYP46A1, GSTA2, GSTA1 RAB9A 2537/4885NPC1 23/4885SMN1; SMN2 3107/4885

“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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