SCHEMBL983060

SCHEMBL983060

CCc1cccc(-c2[c]cccc2)c1CC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.35
GABRB2 P47870 4/20 0.35
CYP2D6 P10635 1/20 0.33
MGLL Q99685 1/20 0.33
ANPEP P15144 1/20 0.33
DPP4 P27487 1/20 0.33
PDK2 Q15119 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
HTR1A P08908 1/20 0.32
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
LMNA P02545 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30
SLC9A1 P19634 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
SCHEMBL982139 0.85 MGLL (0.37) GABRA1GABRB2CYP2D6MGLLANPEP
SCHEMBL984057 0.80 KDM4E (0.32)
SCHEMBL3226815 0.78 GABRA1 (0.40) GABRA1GABRB2MGLLANPEPDPP4
SCHEMBL982134 0.78 NR1H2 (0.38) CYP2D6
SCHEMBL4529434 0.77 GABRA1 (0.50) GABRA1GABRB2CYP2D6MGLLANPEP
SCHEMBL12815673 0.76 GABRA1 (0.35) GABRA1GABRB2CYP2D6TAAR1HTR1A
SCHEMBL12816417 0.75 NR1H2 (0.46)
SCHEMBL473257 0.75 GABRA1 (0.44) GABRA1GABRB2CYP2D6MGLLPDK2
SCHEMBL983253 0.75 NR1H2 (0.34)
SCHEMBL8010806 0.74 HSPA5 (0.34) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8937195-B2 Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-20 US disclosed
EP-2691406-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) Sumitomo Chemical Company, Limited (JP) 2014-02-05 EP disclosed
US-20140018564-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
WO-2012133935-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (3) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133924-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO 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

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 GABRA1 4305/4885GABRB2 3761/4885CYP2D6 1952/4885

“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.