SCHEMBL1834375

SCHEMBL1834375

CCCC(C)c1cccc(C(C)CCC)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.54
GABRB2 P47870 4/20 0.54
TSHR P16473 2/20 0.54
GABRG2 P18507 2/20 0.54
GABRB3 P28472 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
FAAH O00519 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
GABRB1 P18505 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR2C P28335 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
HTR2B P41595 1/20 0.54
GABRA2 P47869 1/20 0.54

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
SCHEMBL4314320 0.94 GABRA1 (0.65) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL4955633 0.90 TSHR (0.52) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL4443322 0.88 ALDH1A1 (0.46) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL199521 0.88 GABRA1 (0.50) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL19780142 0.87 GABRA1 (0.41) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL19880479 0.87 GABRA1 (0.41) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL1838730 0.86 TSHR (0.48) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL19112122 0.85 GABRA1 (0.40) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL19111897 0.85 GABRA1 (0.40) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL11777923 0.84 TSHR (0.47) GABRA1GABRB2TSHRGABRG2GABRB3

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4769501-A Process for producing alkylphenols IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1988-09-06 US claimed
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP disclosed
CN-107266338-B The manufacturing method of isocyanates 旭化成株式会社 2019-10-11 CN disclosed
EP-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 EP disclosed
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 EP disclosed
CN-105102422-B Method for producing isocyanate 旭化成株式会社 2018-01-09 CN disclosed
CN-107266338-A The manufacture method of isocyanates 旭化成株式会社 2017-10-20 CN disclosed
US-8658819-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-02-25 US disclosed
CN-103588680-A Composition for transfer and storage of N-substituted carbamic acid ester and isocyanate production method ASAHI KASEI CHEMICALS CORP 2014-02-19 CN disclosed
CN-103553972-A Method for the preparation of n-substituted carbamic acid ester and method for the preparation of isocyanate using the n-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORP 2014-02-05 CN 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
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-09 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
US-4769501-A Process for producing alkylphenols IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1988-09-06 US disclosed
EP-0254228-A1 Process for producing alkylphenols IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-01-27 EP disclosed
US-3933927-A Phenol transalkylation process ETHYL CORPORATION (US) 1976-01-20 US 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-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 GABRA1 2395/4885GABRB2 2632/4885TSHR 4686/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH GABRA1 1573/4885GABRB2 1720/4885TSHR 2998/4885

“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.