SCHEMBL9455307

SCHEMBL9455307

CCc1c[n+](C)ccc1/C=C/c1ccc(OCC(OC)OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 2/20 0.59
▸ NPC1 O15118 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RELA Q04206 1/20 0.35

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
SCHEMBL9455309 1.00 CHAT (0.59) CHATNPC1MTORTP53CYP3A4
SCHEMBL9455214 0.82 ALDH1A1 (0.45) CHATNPC1MTORTP53CYP3A4
SCHEMBL9455221 0.82 ALDH1A1 (0.45) CHATNPC1MTORTP53CYP3A4
SCHEMBL13540320 0.78 NPC1 (0.40) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL9744994 0.78 APP (0.38) CHATNPC1MTORTP53CYP3A4
SCHEMBL9455281 0.76 CHAT (0.75) CHATNPC1CYP2C19KDM4ELMNA
SCHEMBL29620205 0.76 CHAT (0.75) CHATNPC1CYP2C19KDM4ELMNA
SCHEMBL9455286 0.76 CHAT (0.75) CHATNPC1CYP2C19KDM4ELMNA
SCHEMBL10347969 0.74 SMN1; SMN2 (0.41) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL10347968 0.74 SMN1; SMN2 (0.41) NPC1MTORTP53CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110218647-A1 MEDICAL IMPLANT AGT SCIENCES LTD. (GB) 2011-09-08 — — US disclosed
US-20110218647-A1 MEDICAL IMPLANT AGT SCIENCES LTD. (GB) 2011-09-08 — — US disclosed
US-20110152212-A1 Aqueous Formulations CROWTHER NICHOLAS JOHN 2011-06-23 — — US disclosed
US-20110152212-A1 Aqueous Formulations CROWTHER NICHOLAS JOHN 2011-06-23 — — US disclosed
US-20090110733-A1 DELIVERY MEANS AGT SCIENCES LIMITED (GB) 2009-04-30 — — US disclosed
US-20090110733-A1 DELIVERY MEANS AGT SCIENCES LIMITED (GB) 2009-04-30 — — US disclosed
US-20090022781-A1 DELIVERY MEANS AGT SCIENCES LIMITED (GB) 2009-01-22 — — US disclosed
US-20090022781-A1 DELIVERY MEANS AGT SCIENCES LIMITED (GB) 2009-01-22 — — US disclosed
US-20070276207-A1 Polymeric Materials Incorporating a Ph Indicator Dye EAGLAND DONALD 2007-11-29 — — US disclosed
US-20070276207-A1 Polymeric Materials Incorporating a Ph Indicator Dye EAGLAND DONALD 2007-11-29 — — US disclosed
US-5206113-A Photocurable HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-27 — — US disclosed
US-4339524-A VINYL ACETATE, VINYL ALCOHOL ACETAL AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY MINISTRY OF INTERNATIONAL TRADE AND INDUSTRY (JP) 1982-07-13 — — 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 (3 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-20090022781-A1 DELIVERY MEANS P4HB, GLMN, CD68 CHAT 2876/4885NPC1 2834/4885MTOR 4596/4885
US-20090110733-A1 DELIVERY MEANS LARS1, HSP90AA1, VIP CHAT 2840/4885NPC1 4267/4885MTOR 2086/4885
US-20110152212-A1 Aqueous Formulations H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, VCL CHAT 3144/4885NPC1 4069/4885MTOR 3461/4885

“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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