SCHEMBL21160913

SCHEMBL21160913

C=C/N=C\C=C(/C=C)C(C)CCCCCC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
TSHR P16473 1/20 0.33
GPR84 Q9NQS5 6/20 0.33
FDPS P14324 3/20 0.33
SPHK1 Q9NYA1 1/20 0.33
LMNA P02545 1/20 0.32
PTGS1 P23219 1/20 0.31
PPARG P37231 1/20 0.31
OPRK1 P41145 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 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
SCHEMBL26751314 0.87
SCHEMBL23139164 0.86 CA2 (0.35) FFAR1FFAR4TSHRGPR84FDPS
SCHEMBL18559448 0.86 CA2 (0.35) FFAR1FFAR4TSHRGPR84FDPS
SCHEMBL21081580 0.86 CA2 (0.35) FFAR1FFAR4TSHRGPR84FDPS
SCHEMBL20676426 0.84 CA2 (0.38) FFAR1FFAR4TSHRGPR84LMNA
SCHEMBL21532820 0.79 CA1 (0.39) CA1FFAR1FFAR4ACE2TSHR
SCHEMBL24978535 0.78 ACE2 (0.37) CA1FFAR1FFAR4ACE2TSHR
SCHEMBL24105906 0.76 CA2 (0.38) CA1TSHR
SCHEMBL26320067 0.75 CHRM1 (0.30)
SCHEMBL22162642 0.73 CA1 (0.34) CA1FFAR1FFAR4ACE2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
US-11352343-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2022-06-07 US disclosed
US-20200299272-A1 Urea Derivatives and Uses Thereof KALA BIO, Inc. 2020-09-24 US disclosed
US-10329280-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-06-25 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 (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-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 CA1 715/4885FFAR1 3651/4885FFAR4 3801/4885
US-11352343-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 CA1 3370/4885FFAR1 3475/4885FFAR4 3797/4885
US-20200299272-A1 Urea Derivatives and Uses Thereof UACA, RB1, FLT1 CA1 3370/4885FFAR1 3475/4885FFAR4 3797/4885
US-10329280-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 CA1 3370/4885FFAR1 3475/4885FFAR4 3797/4885

“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.