SCHEMBL1833899

SCHEMBL1833899

CCc1ccccc1C(C)(CC)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
HSPA5 P11021 1/20 0.38
AKR1B1 P15121 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ANPEP P15144 1/20 0.36
DPP4 P27487 1/20 0.36
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34
KIF11 P52732 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL29381738 0.89 TSHR (0.60) TSHRALDH1A1TDP1GABRA1GABRB2
SCHEMBL3152876 0.89 TSHR (0.60) TSHRALDH1A1TDP1GABRA1GABRB2
SCHEMBL1838408 0.87 GABRA1 (0.44) TSHRALDH1A1TDP1GABRA1GABRB2
SCHEMBL1838574 0.86 TSHR (0.46) TSHRALDH1A1TDP1GABRA1GABRB2
SCHEMBL1839662 0.83 TSHR (0.43) TSHRALDH1A1TDP1HTR1ACYP2D6
SCHEMBL1834154 0.82 TSHR (0.42) TSHRALDH1A1TDP1GABRA1GABRB2
SCHEMBL1836041 0.82 BID (0.46) TSHRALDH1A1TDP1
SCHEMBL982784 0.81 TSHR (0.52) TSHRALDH1A1TDP1GABRA1GABRB2
SCHEMBL1835061 0.81 BID (0.48) TSHRALDH1A1TDP1
SCHEMBL1835024 0.81 BID (0.48) TSHRALDH1A1TDP1

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 TSHR 2998/4885ALDH1A1 574/4885TDP1 3561/4885
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH TSHR 2998/4885ALDH1A1 574/4885TDP1 3561/4885

“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.