SCHEMBL944816

SCHEMBL944816

CCC(C)c1ccccc1S

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RORC P51449 1/20 0.38
ATM Q13315 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
HTT P42858 2/20 0.37
TRPA1 O75762 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
LMNA P02545 1/20 0.34
PPARA Q07869 1/20 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
SCHEMBL994607 0.87 TSHR (0.73) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL28416841 0.85 TSHR (0.53) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL1972902 0.84 TSHR (0.52) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL3176963 0.83 TSHR (0.56) TSHRGABRA1GABRB2KDM4EL3MBTL1
Hydrogen Peroxide SCHEMBL3675725 0.82 TSHR (0.74) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL20583953 0.82 TSHR (0.43) TSHRGABRA1GABRB2TRPA1TAAR1
SCHEMBL14864537 0.81 TSHR (0.43) TSHRGABRA1GABRB2TAAR1
SCHEMBL29034985 0.80 GPR84 (0.44) TSHRTRPA1LMNA
SCHEMBL9621456 0.80 TSHR (0.64) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL6682973 0.80 TSHR (0.64) TSHRGABRA1GABRB2KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5290911-A Forming polymers by catalytic oxidative coupling RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1994-03-01 US claimed
CN-113929866-B Modified resin and resin composition 旭化成株式会社 2023-07-07 CN disclosed
US-11192853-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2021-12-07 US disclosed
EP-2641896-B1 SEPARATION METHOD ASAHI CHEMICAL IND (JP) 2020-10-14 EP disclosed
EP-2626345-B1 SEPARATION METHOD AND METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2019-01-16 EP disclosed
CN-105358602-B modified resin and resin composition 旭化成株式会社 2018-12-04 CN disclosed
US-9950273-B2 Method of separation ASAHI KASEI CHEMICALS CORPORATION (JP) 2018-04-24 US disclosed
US-20180105489-A1 Separation Method and Method for Producing Isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed
US-9884810-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2018-02-06 US disclosed
CN-107629183-A Modified resin and resin combination 旭化成株式会社 2018-01-26 CN disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0402481-B1 PRODUCTION OF POLYARYLENE THIOETHER PROD DEV RES INST (JP) 1995-10-25 EP disclosed
WO-1995014012-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
US-5290911-A Forming polymers by catalytic oxidative coupling RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1994-03-01 US disclosed
US-5153305-A From diaryl disulfide; mild conditions using organometallic catalyst RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1992-10-06 US disclosed
US-4983720-A Process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1991-01-08 US disclosed
EP-0402481-A1 PRODUCTION OF POLYARYLENE THIOETHER RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1990-12-19 EP disclosed
US-4931542-A Process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL COMPANY, LIMITED (JP) 1990-06-05 US disclosed
EP-0281036-A2 A process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-07 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-11192853-B2 Separation method and method for producing isocyanate IDH3A, IDH3B, CA9 TSHR 4739/4885GABRA1 2967/4885GABRB2 2372/4885
US-20180105489-A1 Separation Method and Method for Producing Isocyanate IDH3A, IDH3B, CA9 TSHR 4739/4885GABRA1 2967/4885GABRB2 2372/4885

“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.