SCHEMBL1840470

SCHEMBL1840470

Cc1cccc(CC(C)c2cccc(O)c2C(C)Cc2cccc(C)c2C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.43
ATM Q13315 1/20 0.43
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 2/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
ADRA2A P08913 4/20 0.34
ADRA2B P18089 4/20 0.34
ADRA2C P18825 4/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34

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
SCHEMBL1841032 0.90 TRPA1 (0.38) TRPA1ATMTP53MAPK1MAPT
SCHEMBL2021588 0.90 TRPA1 (0.38) TRPA1ATMTP53MAPK1MAPT
SCHEMBL1838330 0.89 TSHR (0.43) TRPA1ATMTP53MAPK1MAPT
SCHEMBL2023255 0.88 TSHR (0.53) TRPA1ATMTP53MAPK1MAPT
SCHEMBL8996448 0.82 NR3C1 (0.41) TRPA1ATMTP53MAPK1MAPT
SCHEMBL1954596 0.81 MAPT (0.49) TRPA1ATMTP53MAPK1MAPT
SCHEMBL1840949 0.81 TSHR (0.45) MAPK1TSHRGABRA1GABRB2ADRA2A
SCHEMBL1842356 0.80 TSHR (0.47) MAPK1TSHRGABRA1GABRB2POLB
SCHEMBL1952508 0.79 TRPA1 (0.43) TRPA1ATMTP53MAPK1MAPT
SCHEMBL1843856 0.78 TSHR (0.39) MAPK1TSHRGABRA1GABRB2POLB

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
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
EP-2322504-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-09-28 EP disclosed
US-9249090-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-02 US disclosed
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-05 US disclosed
US-8884047-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-11 US disclosed
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 US disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP 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 (2 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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH TRPA1 4397/4885ATM 4416/4885TP53 3837/4885
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH TRPA1 4397/4885ATM 4416/4885TP53 3837/4885

“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.