SCHEMBL1836043

SCHEMBL1836043

CCCCCc1ccc(CC(CC)c2ccc(O)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.75
ESR2 Q92731 5/20 0.75
ADRA2A P08913 2/20 0.64
ADORA3 P0DMS8 2/20 0.64
TACR2 P21452 2/20 0.64
SLC6A2 P23975 2/20 0.64
SLC6A4 P31645 2/20 0.64
SLC6A3 Q01959 2/20 0.64
CYP3A4 P08684 2/20 0.64
PTGS2 P35354 2/20 0.64
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.64
SHBG P04278 1/20 0.64
TP53 P04637 1/20 0.64
HSPD1 P10809 1/20 0.64
ADRB3 P13945 1/20 0.64
HTR2C P28335 1/20 0.64
HSPE1 P61604 1/20 0.64
HIF1A Q16665 1/20 0.64

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
SCHEMBL1835063 0.98 ESR1 (0.73) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL1837817 0.98 ESR1 (0.73) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL1837533 0.98 ESR1 (0.73) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL1835026 0.98 ESR1 (0.73) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL1842269 0.98 ESR1 (0.73) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL27813164 0.98 ESR1 (0.73) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL1839664 0.95 ESR1 (0.77) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL1838575 0.89 ESR1 (0.83) ESR1ESR2ADRA2AADORA3TACR2
Isobutesrol SCHEMBL5694505 0.87 ESR1 (1.00) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL1838055 0.83 ESR1 (0.71) ESR1ESR2ADRA2AADORA3TACR2

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
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 986/4885ADRA2A 3245/4885
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 986/4885ADRA2A 3245/4885

“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.