SCHEMBL1104963

SCHEMBL1104963

CC(C)/C=C1/C(=C(C#N)C#N)c2ccccc2S1(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL1101404 0.84 ESR1 (0.33) GPR3ESR1ESR2MEN1KMT2A
SCHEMBL13679292 0.84 GPR3 (0.40) GPR3ESR1ESR2MEN1KMT2A
SCHEMBL15146693 0.84 GPR3 (0.40) GPR3ESR1ESR2MEN1KMT2A
SCHEMBL26361785 0.81 GPR3 (0.40) GPR3ESR1ESR2MEN1KMT2A
SCHEMBL20365633 0.81 GPR3 (0.40) GPR3ESR1ESR2MEN1KMT2A
SCHEMBL13679365 0.81 GPR3 (0.37) GPR3ESR1ESR2MEN1KMT2A
SCHEMBL8636862 0.78 GPR3 (0.56) GPR3MEN1KMT2AALDH1A1MAPT
SCHEMBL23515512 0.77 ESR1 (0.38) GPR3ESR1ESR2MEN1KMT2A
SCHEMBL12228124 0.75 ESR1 (0.32) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL6570783 0.75 ESR1 (0.48) GPR3ESR1ESR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11152581-B2 Visibly transparent, near-infrared-absorbing donor/acceptor photovoltaic devices UBIQUITOUS ENERGY, INC. (US) 2021-10-19 US disclosed
US-20210184145-A1 VISIBLY TRANSPARENT PHOTOACTIVE COMPOUNDS FOR NEAR-INFRARED-ABSORBING PHOTOVOLTAIC DEVICES UBIQUITOUS ENERGY, INC. (US) 2021-06-17 US disclosed
US-20210126210-A1 Visibly Transparent, Ultraviolet-Absorbing Photovoltaic Devices UBIQUITOUS ENERGY, INC. (US) 2021-04-29 US disclosed
US-8152861-B2 Dark coloured azo dyes THE PROCTER & GAMBLE COMPANY (US) 2012-04-10 US disclosed
US-20110225742-A1 Dark Coloured Azo Dyes WELLA OPERATIONS US, LLC 2011-09-22 US disclosed
EP-1920761-B1 Dark coloured azo dyes PROCTER & GAMBLE (US) 2009-09-16 EP disclosed
US-20090118510-A1 Dark coloured azo dyes WELLA OPERATIONS US, LLC 2009-05-07 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 (2 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-20090118510-A1 Dark coloured azo dyes KRT18, CYB5R3, CYBA GPR3 3943/4885ESR1 3086/4885ESR2 2556/4885
US-20110225742-A1 Dark Coloured Azo Dyes KRT18, CYB5R3, CYBA GPR3 3943/4885ESR1 3086/4885ESR2 2556/4885

“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.