SCHEMBL12901133

SCHEMBL12901133

C[n+]1ccc(/C=C/C2=C(O)c3ccccc3S2(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 6/20 0.47
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
GPR3 P46089 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
ALPG P10696 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL12901032 0.95 CHAT (0.41) CHATRAB9AALDH1A1MAPTKDM4E
SCHEMBL12901145 0.82 GPR3 (0.36) ALDH1A1MAPTKDM4EHPGDGPR3
SCHEMBL7473284 0.73 GPR3 (0.44) ALDH1A1MAPTKDM4EGPR3ESR1
SCHEMBL7473289 0.73 GPR3 (0.44) ALDH1A1MAPTKDM4EGPR3ESR1
SCHEMBL7467947 0.72 GPR3 (0.50) GPR3ESR1ESR2MEN1KMT2A
SCHEMBL12901031 0.70
SCHEMBL10216422 0.68 GPR3 (0.54) GPR3ESR1ESR2MEN1KMT2A
SCHEMBL9777568 0.67 CHAT (1.00) CHATRAB9AALDH1A1MAPTKDM4E
SCHEMBL3318878 0.67 CHAT (1.00) CHATRAB9AALDH1A1MAPTKDM4E
SCHEMBL12519753 0.67 CHAT (0.80) CHATRAB9AALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES PTMS, ACP1, SNRPE CHAT 2928/4885RAB9A 2989/4885ALDH1A1 3978/4885

“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.