SCHEMBL8517110

SCHEMBL8517110

CCC(CC)c1ccccc1S

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.34
GPR84 Q9NQS5 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
TP53 P04637 1/20 0.31
CCR5 P51681 1/20 0.31
MAPT P10636 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL15105217 0.87 TSHR (0.36) TSHRLMNAGPR84ESR1
SCHEMBL9734906 0.84 TSHR (0.48) TSHRLMNAGPR84GABRA1GABRB2
SCHEMBL9188305 0.80 NR1I2 (0.43)
SCHEMBL944816 0.80 TSHR (0.64) TSHRLMNAGABRA1GABRB2
SCHEMBL29034985 0.80 GPR84 (0.44) TSHRLMNAGPR84TP53MAPT
Hydrochloric Acid SCHEMBL3838835 0.79 NR1I2 (0.42)
SCHEMBL11162216 0.78 CYSLTR2 (0.43) TSHRLMNATP53MAPTHDAC8
SCHEMBL3672924 0.76 TSHR (0.39) TSHRLMNA
SCHEMBL10455676 0.76 TSHR (0.39) TSHRLMNA
SCHEMBL28221722 0.76 LMNA (0.52) TSHRLMNAGABRA1GABRB2MAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929866-B Modified resin and resin composition 旭化成株式会社 2023-07-07 CN disclosed
CN-111205424-B Modified resin and resin composition 旭化成株式会社 2022-04-08 CN disclosed
CN-113929866-A Modified resin and resin composition 旭化成株式会社 2022-01-14 CN disclosed
US-11192853-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2021-12-07 US disclosed
CN-107629183-B Modified resin and resin composition 旭化成株式会社 2021-01-05 CN disclosed
EP-2641896-B1 SEPARATION METHOD ASAHI CHEMICAL IND (JP) 2020-10-14 EP disclosed
CN-111205424-A Modified resin and resin composition 旭化成株式会社 2020-05-29 CN disclosed
EP-2626345-B1 SEPARATION METHOD AND METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2019-01-16 EP 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
US-20140332367-A1 Method of Separation ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-13 US disclosed
EP-2641896-A1 SEPARATION METHOD Asahi Kasei Chemicals Corporation (JP) 2013-09-25 EP disclosed
EP-2626345-A1 SEPARATION METHOD AND METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2013-08-14 EP disclosed
US-20130184488-A1 Separation Method and Method for Producing Isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-07-18 US disclosed
EP-0896050-A1 Lubricating oil composition comprising a specific base oil and an oxidation inhibitor NIPPON OIL CO., LTD. (JP) 1999-02-10 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 (4 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-20140332367-A1 Method of Separation CCKBR, MAOB, CA9 TSHR 3686/4885LMNA 1877/4885GPR84 2889/4885
US-11192853-B2 Separation method and method for producing isocyanate IDH3A, IDH3B, CA9 TSHR 4739/4885LMNA 1338/4885GPR84 4361/4885
US-20130184488-A1 Separation Method and Method for Producing Isocyanate IDH3A, IDH3B, CA9 TSHR 4739/4885LMNA 1338/4885GPR84 4361/4885
US-20180105489-A1 Separation Method and Method for Producing Isocyanate IDH3A, IDH3B, CA9 TSHR 4739/4885LMNA 1338/4885GPR84 4361/4885

“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.