SCHEMBL980306

SCHEMBL980306

CCCCCCC(CCCCCC)Cc1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.41
LMNA P02545 2/20 0.41
BDKRB2 P30411 5/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
TACR2 P21452 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SHBG P04278 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSPD1 P10809 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL3669118 1.00 CSNK1E (0.41) CSNK1ELMNABDKRB2PRSS1PRSS2
SCHEMBL3675039 1.00 CSNK1E (0.41) CSNK1ELMNABDKRB2PRSS1PRSS2
SCHEMBL3674493 1.00 CSNK1E (0.41) CSNK1ELMNABDKRB2PRSS1PRSS2
SCHEMBL3677341 1.00 CSNK1E (0.41) CSNK1ELMNABDKRB2PRSS1PRSS2
SCHEMBL3669262 1.00 CSNK1E (0.41) CSNK1ELMNABDKRB2PRSS1PRSS2
SCHEMBL3671161 1.00 CSNK1E (0.41) CSNK1ELMNABDKRB2PRSS1PRSS2
SCHEMBL3676971 1.00 CSNK1E (0.41) CSNK1ELMNABDKRB2PRSS1PRSS2
SCHEMBL3669390 1.00 CSNK1E (0.41) CSNK1ELMNABDKRB2PRSS1PRSS2
SCHEMBL3669482 0.98 CSNK1E (0.41) CSNK1ELMNABDKRB2PRSS1PRSS2
SCHEMBL981522 0.98 CSNK1E (0.39) CSNK1ELMNABDKRB2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2248818-B1 ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL CO (JP) 2014-09-24 EP disclosed
CN-102026965-B Method for producing isocyanate ASAHI KASEI CHEMICALS CORP 2014-02-26 CN disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 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 (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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH CSNK1E 1382/4885LMNA 2379/4885BDKRB2 2471/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 CSNK1E 3253/4885LMNA 4544/4885BDKRB2 2627/4885

“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.