SCHEMBL1839664

SCHEMBL1839664

CCCCc1ccc(CC(CC)c2ccc(O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.77
ESR2 Q92731 8/20 0.77
ADORA3 P0DMS8 3/20 0.56
SLC6A2 P23975 3/20 0.56
SLC6A3 Q01959 3/20 0.56
ADRA2A P08913 2/20 0.56
TACR2 P21452 2/20 0.56
SLC6A4 P31645 2/20 0.56
LMNA P02545 2/20 0.56
CYP3A4 P08684 2/20 0.56
CHRM2 P08172 2/20 0.56
CHRM1 P11229 2/20 0.56
PTGS1 P23219 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 1/20 0.56
SHBG P04278 1/20 0.56
TP53 P04637 1/20 0.56
HSPD1 P10809 1/20 0.56
ADRB3 P13945 1/20 0.56

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
SCHEMBL1836043 0.95 ESR1 (0.75) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL1842269 0.94 ESR1 (0.73) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL27813164 0.94 ESR1 (0.73) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL1835063 0.94 ESR1 (0.73) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL1835026 0.94 ESR1 (0.73) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL1837817 0.94 ESR1 (0.73) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL1837533 0.94 ESR1 (0.73) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL1838575 0.90 ESR1 (0.83) ESR1ESR2ADORA3SLC6A2SLC6A3
Isobutesrol SCHEMBL5694505 0.88 ESR1 (1.00) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL1833902 0.83 ESR1 (0.89) ESR1ESR2ADORA3SLC6A2SLC6A3

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 8 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
CN-102105439-B Method for producing N-substituted carbamate and method for producing isocyanate using the N-substituted carbamate ASAHI KASEI CHEMICALS CORP. (JP) 2016-04-20 CN 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 ESR1 623/4885ESR2 986/4885ADORA3 3467/4885
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH ESR1 623/4885ESR2 986/4885ADORA3 3467/4885

“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.