SCHEMBL1833902

SCHEMBL1833902

CCc1ccc(CC(CC)c2ccc(O)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.89
ESR2 Q92731 13/20 0.89
SLC6A2 P23975 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
CYP2C9 P11712 2/20 0.48
ALOX15 P16050 2/20 0.48
CYP2C19 P33261 2/20 0.48
LMNA P02545 1/20 0.48
PGR P06401 1/20 0.48
CHRM2 P08172 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
AR P10275 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
TBXA2R P21731 1/20 0.48
PTGS1 P23219 1/20 0.48
ADRA1A P35348 1/20 0.48

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
Isobutesrol SCHEMBL5694505 0.94 ESR1 (1.00) ESR1ESR2SLC6A2CYP1A2CYP3A4
SCHEMBL17047779 0.89 ESR1 (0.89) ESR1ESR2SLC6A2CYP1A2CYP3A4
SCHEMBL1838502 0.87 ESR1 (0.86) ESR1ESR2SLC6A2CYP1A2CYP3A4
SCHEMBL1838575 0.86 ESR1 (0.83) ESR1ESR2SLC6A2CYP1A2CYP3A4
SCHEMBL28059678 0.86 ESR1 (0.83) ESR1ESR2SLC6A2CYP1A2CYP3A4
SCHEMBL1836841 0.85 ESR1 (0.82) ESR1ESR2SLC6A2CYP1A2CYP3A4
SCHEMBL27833227 0.85 ESR1 (0.82) ESR1ESR2SLC6A2CYP1A2CYP3A4
SCHEMBL1839664 0.83 ESR1 (0.77) ESR1ESR2SLC6A2CYP1A2CYP3A4
SCHEMBL6744903 0.82 ESR1 (0.76) ESR1ESR2SLC6A2CYP1A2CYP3A4
SCHEMBL1836043 0.82 ESR1 (0.75) ESR1ESR2SLC6A2CYP3A4MAPT

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 9 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
CN-102105439-A Method for producing N-substituted carbamate and method for producing isocyanate using the N-substituted carbamate ASAHI KASEI CHEMICALS CORP (JP) 2011-06-22 CN 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 986/4885SLC6A2 3363/4885
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 986/4885SLC6A2 3363/4885

“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.