SCHEMBL983062

SCHEMBL983062

CCc1cc[c]c(-c2ccccc2)c1CC

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
ADORA3 P0DMS8 3/20 0.31
KDM5B Q9UGL1 1/20 0.31
GCGR P47871 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HPGD P15428 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
SCHEMBL8938028 0.79 USP7 (0.35) SMN1; SMN2TP53ESR1ESR2L3MBTL1
SCHEMBL984059 0.79 KDM4E (0.37) SMN1; SMN2MAPTKDM4EALDH1A1HSD17B10
SCHEMBL8072396 0.79
SCHEMBL982140 0.77 GABRA1 (0.35) SMN1; SMN2TP53L3MBTL1MAPTHPGD
SCHEMBL982136 0.76 HSD11B1 (0.39) ADORA3GCGR
SCHEMBL9582176 0.75 GABRA1 (0.36) ADORA3
SCHEMBL10497051 0.75 KDM5A (0.34) MAPTKDM5AALDH1A1
SCHEMBL985492 0.73 NR3C2 (0.36) SMN1; SMN2POLBESR1ESR2MAPT
SCHEMBL8677546 0.70 AURKA (0.35) SMN1; SMN2POLBMAPTNPC1RAB9A
SCHEMBL983989 0.70 LTA4H (0.38) SMN1; SMN2POLBL3MBTL1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020158205-A1 SULFUR-CONTAINING EXTREME-PRESSURE AGENT AND METAL WORKING OIL DIC株式会社 2020-08-06 WO disclosed
EP-3684895-A1 HYDRAULIC OIL COMPOSITIONS WITH IMPROVED HYDROLYTIC AND THERMO-OXIDATIVE STABILITY ExxonMobil Research and Engineering Company (US) 2020-07-29 EP disclosed
WO-2020131439-A1 GREASE COMPOSITIONS HAVING POLYUREA THICKENERS MADE WITH ISOCYANATE TERMINATED PREPOLYMERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2020-06-25 WO disclosed
WO-2019055291-A1 HYDRAULIC OIL COMPOSITIONS WITH IMPROVED HYDROLYTIC AND THERMO-OXIDATIVE STABILITY EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2019-03-21 WO disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
US-4251435-A FOR POLYOLEFINS THE B. F. GOODRICH COMPANY (US) 1981-02-17 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 (1 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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH SMN1; SMN2 4174/4885POLB 2481/4885RECQL 3210/4885

“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.