SCHEMBL15955937

SCHEMBL15955937

CC[C@H](C)COc1cc(CO)cc(CC#N)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
GPR88 Q9GZN0 7/20 0.34
GPBAR1 Q8TDU6 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL15955940 1.00 FFAR1 (0.35) FFAR1GPR88GPBAR1CYP4F2CYP4A11
SCHEMBL15956910 0.88 FFAR1 (0.41) FFAR1GPR88GPBAR1CYP4F2CYP4A11
SCHEMBL15955822 0.80 FFAR1 (0.33) FFAR1GPR88GPBAR1
SCHEMBL15955827 0.80 FFAR1 (0.33) FFAR1GPR88GPBAR1
SCHEMBL15955604 0.75 PLA2G2A (0.48)
SCHEMBL17124422 0.75 DAO (0.43) CYP4F2CYP4A11
SCHEMBL208982 0.74 KDM4E (0.43) FFAR1
SCHEMBL16246962 0.73 THRA (0.41) GPR88GPBAR1CYP4F2CYP4A11
SCHEMBL9493362 0.70 ALDH1A1 (0.40)
SCHEMBL3567621 0.67 PTGS2 (0.39) CYP4F2CYP4A11

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-10077233-B2 Poly-cyanostilbene macrocycles INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-18 US disclosed
US-20170313652-A1 Poly-Cyanostilbene Macrocycles NATIONAL SCIENCE FOUNDATION 2017-11-02 US disclosed
US-20170313652-A1 Poly-Cyanostilbene Macrocycles NATIONAL SCIENCE FOUNDATION 2017-11-02 US disclosed
US-20170313652-A1 Poly-Cyanostilbene Macrocycles NATIONAL SCIENCE FOUNDATION 2017-11-02 US disclosed
US-9701621-B2 Poly-cyanostilbene macrocycles INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2017-07-11 US disclosed
US-9701621-B2 Poly-cyanostilbene macrocycles INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2017-07-11 US disclosed
US-9701621-B2 Poly-cyanostilbene macrocycles INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2017-07-11 US disclosed
US-20150376122-A1 Poly-Cyanostilbene Macrocycles INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-12-31 US disclosed
US-20150376122-A1 Poly-Cyanostilbene Macrocycles INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-12-31 US disclosed
US-20150376122-A1 Poly-Cyanostilbene Macrocycles INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-12-31 US disclosed
WO-2014127171-A1 POLY-CYANOSTILBENE MACROCYCLES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2014-08-21 WO disclosed
WO-2014127171-A1 POLY-CYANOSTILBENE MACROCYCLES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2014-08-21 WO 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-20150376122-A1 Poly-Cyanostilbene Macrocycles PCBP1, HCCS, ACVR2B FFAR1 4172/4885GPR88 2636/4885GPBAR1 1530/4885
US-20170313652-A1 Poly-Cyanostilbene Macrocycles PCBP1, HCCS, ACVR2B FFAR1 4172/4885GPR88 2636/4885GPBAR1 1530/4885
US-10077233-B2 Poly-cyanostilbene macrocycles PCBP1, HCCS, ACVR2B FFAR1 4172/4885GPR88 2636/4885GPBAR1 1530/4885

“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.