SCHEMBL19205698

SCHEMBL19205698

Cc1ccc([C@@H](C)O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
LMNA P02545 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
CASR P41180 1/20 0.40
CYP1A2 P05177 2/20 0.39
PDE2A O00408 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP2A6 P11509 1/20 0.36
SRC P12931 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL30271542 1.00 TRPA1 (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5669794 1.00 TRPA1 (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL8756974 0.83 TDP1 (0.48) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL9685032 0.83 TDP1 (0.48) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL6055257 0.82 TRPA1 (0.47) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL21331650 0.82 TRPA1 (0.47) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL30103952 0.82 TRPA1 (0.47) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL21331647 0.82 TRPA1 (0.47) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL21331658 0.82 TRPA1 (0.47) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL30103874 0.82 TRPA1 (0.47) TRPA1LMNACHRM1SLC6A2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026050-B Novel compounds as ROR gamma modulators 格兰马克药品股份有限公司 2021-04-30 CN disclosed
US-10988467-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2021-04-27 US disclosed
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 EP disclosed
EP-3331863-B1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2020-03-11 EP disclosed
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-08-22 US disclosed
US-10344024-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-09 US disclosed
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-08-23 US disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 US disclosed
CN-104292074-A R-1-(2,4-dimethyl phenyl) ethanol and synthetic method of R-1-(2,4-dimethyl phenyl) ethanol ester WANG TONGJUN 2015-01-21 CN disclosed
CN-104292074-A R-1-(2,4-dimethyl phenyl) ethanol and synthetic method of R-1-(2,4-dimethyl phenyl) ethanol ester WANG TONGJUN 2015-01-21 CN 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 (5 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-10988467-B2 Compounds as ROR gamma modulators RORB, RORA, RORC TRPA1 839/4885LMNA 3248/4885CHRM1 89/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC TRPA1 839/4885LMNA 3248/4885CHRM1 89/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC TRPA1 789/4885LMNA 3544/4885CHRM1 63/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC TRPA1 389/4885LMNA 3988/4885CHRM1 122/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC TRPA1 789/4885LMNA 3544/4885CHRM1 63/4885

“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.