SCHEMBL1838504

SCHEMBL1838504

CCC(C)c1cccc(O)c1-c1ccccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ANPEP P15144 1/20 0.38
DPP4 P27487 1/20 0.38
RORC P51449 1/20 0.37
ELANE P08246 2/20 0.37
CTSG P08311 2/20 0.37
POLB P06746 1/20 0.36
TRPA1 O75762 3/20 0.36
ATM Q13315 3/20 0.36
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAOA P21397 2/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1837669 0.89 TSHR (0.54) TSHRHDAC4HDAC2HDAC8GABRA1
SCHEMBL1833904 0.83 TSHR (0.59) TSHRHDAC4HDAC2HDAC8GABRA1
SCHEMBL1838131 0.82 TSHR (0.53) TSHRHDAC4HDAC2HDAC8GABRA1
SCHEMBL28059680 0.81 TSHR (0.56) TSHRHDAC4HDAC2HDAC8GABRA1
SCHEMBL1838577 0.81 TSHR (0.56) TSHRHDAC4HDAC2HDAC8GABRA1
SCHEMBL6131382 0.80 TSHR (0.75) TSHRHDAC4HDAC2HDAC8GABRA1
SCHEMBL1843517 0.79 TSHR (0.67) TSHRHDAC4HDAC2HDAC8GABRA1
SCHEMBL1839666 0.79 TSHR (0.53) TSHRGABRA1GABRB2ELANECTSG
SCHEMBL8680526 0.78 TSHR (0.53) TSHRGABRA1GABRB2RORCATM
SCHEMBL1838411 0.78 TSHR (0.51) TSHRHDAC4HDAC2HDAC8GABRA1

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 TSHR 2998/4885HDAC4 243/4885HDAC2 1929/4885
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 2998/4885HDAC4 243/4885HDAC2 1929/4885

“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.