SCHEMBL12125135

SCHEMBL12125135

C[n+]1ccc(/C=C/c2ccc(O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 3/20 0.61
▸ ALDH1A1 P00352 5/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ CYP2C19 P33261 3/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ MAPT P10636 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ LMNA P02545 3/20 0.57
▸ THRB P10828 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ GFER P55789 2/20 0.57
▸ ALPG P10696 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ GLA P06280 1/20 0.53
▸ APP P05067 6/20 0.52
▸ CA12 O43570 2/20 0.52
▸ CA1 P00915 2/20 0.52

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
SCHEMBL9770819 1.00 CHAT (0.61) CHATALDH1A1KDM4EHPGDCYP2C19
Iodide SCHEMBL31042224 0.98 ALDH1A1 (0.64) CHATALDH1A1KDM4EHPGDCYP2C19
SCHEMBL30612471 0.88 CHAT (0.76) CHATALDH1A1KDM4EHPGDCYP2C19
SCHEMBL10001242 0.85 CHAT (0.80) CHATALDH1A1KDM4EHPGDCYP2C19
SCHEMBL12519753 0.85 CHAT (0.80) CHATALDH1A1KDM4EHPGDCYP2C19
SCHEMBL13964870 0.83 ALDH1A1 (0.70) CHATALDH1A1KDM4EHPGDCYP2C19
Iodide SCHEMBL1804181 0.82 ALDH1A1 (0.68) CHATALDH1A1KDM4EHPGDCYP2C19
Iodide SCHEMBL1804188 0.82 ALDH1A1 (0.68) CHATALDH1A1KDM4EHPGDCYP2C19
SCHEMBL6266987 0.80 APP (0.74) ALDH1A1KDM4EHPGDCYP2C19RAB9A
SCHEMBL9678787 0.80 APP (0.74) ALDH1A1KDM4EHPGDCYP2C19RAB9A

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
WO-2024151602-A1 DETACHABLE MICRONEEDLE ARRAYS UNIVERSITY OF NOTRE DAME DU LAC (US) 2024-07-18 — — WO disclosed
US-8835632-B2 Methods to increase the photostability of dyes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-16 — — US disclosed
US-8349222-B2 Twisted π-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices NORTHWESTERN UNIVERSITY (US) 2013-01-08 — — US disclosed
US-20120294808-A1 Fluorescent Analogs of Neurotransmitters, Compositions Containing the Same and Methods of Using the Same UNIVERSITY OF MIAMI (US) 2012-11-22 — — US disclosed
US-20120294808-A1 Fluorescent Analogs of Neurotransmitters, Compositions Containing the Same and Methods of Using the Same UNIVERSITY OF MIAMI (US) 2012-11-22 — — US disclosed
US-20110278512-A1 Twisted Pi-Electron System Chromophore Compounds with Very Large Molecular Hyperpolarizabilities and Related Compositions and Devices Northwestem University (US) 2011-11-17 — — US disclosed
US-7968016-B2 Twisted π-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices NORTHWESTERN UNIVERSITY (US) 2011-06-28 — — US disclosed
US-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-24 — — US disclosed
US-7824582-B2 Twisted π-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices NORTHWESTERN UNIVERSITY (US) 2010-11-02 — — US disclosed
US-7824582-B2 Twisted π-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices NORTHWESTERN UNIVERSITY (US) 2010-11-02 — — US disclosed
US-20100273919-A1 TWISTED PI-ELECTRON SYSTEM CHROMOPHORE COMPOUNDS WITH VERY LARGE MOLECULAR HYPERPOLARIZABILITIES AND RELATED COMPOSITIONS AND DEVICES NATIONAL SCIENCE FOUNDATION 2010-10-28 — — US disclosed
EP-1161555-B1 4-(4-HYDROXYSTYRYL)PYRIDINE-CONTAINING SUBSTRATES FOR AN ANALYTE DEPENDENT ENZYME ACTIVATION SYSTEM PERKINELMER LAS INC (US) 2008-01-02 — — EP 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 (4 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-20120294808-A1 Fluorescent Analogs of Neurotransmitters, Compositions Containing the Same and Methods of Using the Same HRH3, CHRNA4, HRH4 CHAT 42/4885ALDH1A1 1735/4885KDM4E 2970/4885
US-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES PTMS, ACP1, SNRPE CHAT 2928/4885ALDH1A1 3978/4885KDM4E 3420/4885
US-20100273919-A1 TWISTED PI-ELECTRON SYSTEM CHROMOPHORE COMPOUNDS WITH VERY LARGE MOLECULAR HYPERPOLARIZABILITIES AND RELATED COMPOSITIONS AND DEVICES PAX3, OPA1, LAGE3 CHAT 694/4885ALDH1A1 4309/4885KDM4E 3843/4885
US-20110278512-A1 Twisted Pi-Electron System Chromophore Compounds with Very Large Molecular Hyperpolarizabilities and Related Compositions and Devices PAX3, OPA1, LAGE3 CHAT 694/4885ALDH1A1 4309/4885KDM4E 3843/4885

“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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