SCHEMBL19200748

SCHEMBL19200748

COc1ccc(/C(=C(/CCNC(=O)NCc2ccccc2)c2ccc(-c3ccc(/C(=C(\CCNC(=O)NC4CCCCC4)c4ccc(-c5ccc(/C(=C(\CCNC(=O)N6CCOCC6)c6ccccc6)c6ccc(OC)cc6)cc5)cc4)c4ccc(OC)cc4)cc3)cc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ EPHX1 P07099 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ GFER P55789 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL17506002 0.82 BLM (0.51) SMN1; SMN2RAB9AHPGDPOLBMEN1
SCHEMBL17506004 0.82 BLM (0.51) SMN1; SMN2RAB9AHPGDPOLBMEN1
SCHEMBL17505997 0.82 RAB9A (0.58) SMN1; SMN2NPC1RAB9AEPHX1HPGD
SCHEMBL17505996 0.82 RAB9A (0.58) SMN1; SMN2NPC1RAB9AEPHX1HPGD
SCHEMBL19201099 0.80 RAB9A (0.51) SMN1; SMN2NPC1RAB9AEPHX1HPGD
SCHEMBL17506010 0.78 CASR (0.57) NPC1RAB9AEPHX1MAPTNPSR1
SCHEMBL17506011 0.78 CASR (0.57) NPC1RAB9AEPHX1MAPTNPSR1
SCHEMBL19181332 0.76 SMN1; SMN2 (0.54) SMN1; SMN2HPGDMAPTPOLBMEN1
SCHEMBL17506009 0.76 SMN1; SMN2 (0.54) SMN1; SMN2HPGDMAPTPOLBMEN1
SCHEMBL17506001 0.76 SMN1; SMN2 (0.54) SMN1; SMN2HPGDMAPTPOLBMEN1

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 SMN1; SMN2 3107/4885NPC1 23/4885RAB9A 2537/4885

“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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