SCHEMBL18560992

SCHEMBL18560992

Cc1ccc(C(C)(C)C#N)cc1CO

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLF10 Q13118 1/20 0.43
S1PR1 P21453 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
VDR P11473 1/20 0.35
BRAF P15056 7/20 0.33
CYP2C9 P11712 4/20 0.33
ESR1 P03372 2/20 0.33
CNR1 P21554 2/20 0.33
ESR2 Q92731 1/20 0.33
SHBG P04278 1/20 0.33
CNR2 P34972 1/20 0.33
GRM1 Q13255 1/20 0.33
RORC P51449 1/20 0.32
HPGD P15428 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
SCHEMBL25767568 0.83 ESR1 (0.33) SCN10ABRAFCYP2C9ESR1ESR2
SCHEMBL10211670 0.80 KLF10 (0.50) KLF10S1PR1VDRESR1SHBG
SCHEMBL10227953 0.79 SCN10A (0.38) SCN10ABRAFCYP2C9ESR1GRM1
SCHEMBL17224473 0.79 CASP1 (0.42) KLF10
SCHEMBL25767593 0.78 CNR1 (0.31) SCN10AESR1CNR1ESR2
SCHEMBL18560993 0.74 RORC (0.32) BRAFESR1ESR2RORC
SCHEMBL15062087 0.74 S1PR1 (0.51) KLF10S1PR1VDRSHBG
SCHEMBL8855639 0.74 BRAF (0.36) SCN10ABRAFCYP2C9ESR1GRM1
SCHEMBL307936 0.74 SCN10A (0.36) SCN10ABRAFESR1CNR1ESR2
SCHEMBL30558289 0.73 BRAF (0.35) SCN10ABRAFCYP2C9ESR1GRM1

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-9902730-B2 Compounds and compositions as toll-like receptor 7 agonists NOVARTIS AG (CH) 2018-02-27 US disclosed
US-20170057968-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS AG (CH) 2017-03-02 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-20170057968-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS TLR7, TLR3, TLR1 KLF10 2124/4885S1PR1 744/4885SCN10A 3048/4885

“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.