SCHEMBL19201099

SCHEMBL19201099

COc1ccc(/C(=C(/CCNC(=O)C(=O)NCc2ccccc2)c2ccc(-c3ccc(/C(=C(\CCNC(=O)C(=O)NC4CCCCC4)c4ccccc4)c4ccc(OC)cc4)cc3)cc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ EPHX1 P07099 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ EPHX2 P34913 1/20 0.43
▸ YAP1 P46937 1/20 0.43
▸ TEAD4 Q15561 1/20 0.43

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 0.92 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL17524121 0.92 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL19181334 0.87 LMNA (0.59) RAB9ANPC1ALDH1A1KMT2AL3MBTL1
SCHEMBL17523976 0.87 LMNA (0.59) RAB9ANPC1ALDH1A1KMT2AL3MBTL1
SCHEMBL17505996 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL17505997 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL19200748 0.80 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL17524125 0.79 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL17506011 0.78 CASR (0.57) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL17506010 0.78 CASR (0.57) RAB9ANPC1ALDH1A1LMNAMAPT

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 1 patent. 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

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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