SCHEMBL17540359

SCHEMBL17540359

Cc1c(C)c(C#N)c(C)c(C#N)c1F

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TRPV4 Q9HBA0 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
SCHEMBL19021860 0.92 TRPV4 (0.32) ALDH1A1TRPV4
SCHEMBL13587066 0.92 TRPV4 (0.32) ALDH1A1TRPV4
SCHEMBL25613889 0.90 TRPV4 (0.31) ALDH1A1TRPV4
SCHEMBL12562494 0.89 TRPV4 (0.33) ALDH1A1TRPV4
SCHEMBL19021858 0.86 TRPV4 (0.35) ALDH1A1TRPV4
SCHEMBL18159203 0.86 TRPV4 (0.35) ALDH1A1TRPV4
SCHEMBL12418989 0.86 ALDH1A1 (0.38) ALDH1A1TRPV4
SCHEMBL16122690 0.83 TRPV4 (0.33) ALDH1A1TRPV4
SCHEMBL25613941 0.83 ALDH1A1 (0.37) ALDH1A1TRPV4
SCHEMBL18162324 0.83 TRPV4 (0.33) ALDH1A1TRPV4

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-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2019-09-10 US disclosed
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2017-11-02 US disclosed
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2017-11-02 US disclosed
US-9718764-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-08-01 US disclosed
US-9718764-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-08-01 US disclosed
US-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2016-02-18 US disclosed
US-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2016-02-18 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-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 ALDH1A1 2033/4885TRPV4 545/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 ALDH1A1 2033/4885TRPV4 545/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 ALDH1A1 2033/4885TRPV4 545/4885

“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.