SCHEMBL2294654

SCHEMBL2294654

Cc1cc(C(C)(C)C)c(-c2c(C(C)(C)C)cc(C)c(C)c2O)c(O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.48
CYP2C9 P11712 5/20 0.48
CYP1A2 P05177 3/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
CA2 P00918 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TYR P14679 2/20 0.48
POLB P06746 1/20 0.48
CA1 P00915 2/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ALOX15 P16050 4/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATP2A2 P16615 1/20 0.42
ATP2A3 Q93084 1/20 0.42
HIF1A Q16665 4/20 0.40
TP53 P04637 2/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL11504878 0.84 ALDH1A1 (0.50) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL27944723 0.84 SMN1; SMN2 (0.50) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL29897548 0.84 SMN1; SMN2 (0.50) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL21409658 0.83 CYP2C9 (0.39) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL1524288 0.82 SMN1; SMN2 (0.54) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL29410034 0.82 SMN1; SMN2 (0.54) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL1245154 0.82 CYP2C19 (0.48) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL29410024 0.82 SMN1; SMN2 (0.54) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL29162188 0.80 CYP2C19 (0.47) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
Selenium SCHEMBL30065154 0.80 SMN1; SMN2 (0.52) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9517986-B2 Process for preparing 2,2′-biphenols using selenium dioxide EVONIK DEGUSSA GMBH (DE) 2016-12-13 US claimed
US-20150336865-A1 PROCESS FOR PREPARING 2,2'-BIPHENOLS USING SELENIUM DIOXIDE EVONIK DEGUSSA GMBH (DE) 2015-11-26 US claimed
EP-3023430-B1 TRANSITION METAL/CARBENE COMPLEX AND PROCESS FOR PRODUCING SAME ZEON CORP (JP) 2018-01-31 EP disclosed
EP-2949638-B1 METHOD FOR THE PREPARATION OF 2,2 -BIPHENOLS USING SELENIUM DIOXIDE EVONIK DEGUSSA GMBH (DE) 2017-11-08 EP disclosed
US-9701701-B2 Transition metal carbene complex and method of producing the same ZEON CORPORATION (JP) 2017-07-11 US disclosed
US-9550800-B2 2017-01-24 US disclosed
US-9517986-B2 Process for preparing 2,2′-biphenols using selenium dioxide EVONIK DEGUSSA GMBH (DE) 2016-12-13 US disclosed
US-20160152645-A1 TRANSITION METAL CARBENE COMPLEX AND METHOD OF PRODUCING THE SAME ZEON CORPORATION (JP) 2016-06-02 US disclosed
EP-3023430-A1 TRANSITION METAL/CARBENE COMPLEX AND PROCESS FOR PRODUCING SAME Zeon Corporation (JP) 2016-05-25 EP disclosed
EP-2949638-A1 METHOD FOR THE PREPARATION OF 2,2 -BIPHENOLS USING SELENIUM DIOXIDE Evonik Degussa GmbH (DE) 2015-12-02 EP disclosed
US-20150336865-A1 PROCESS FOR PREPARING 2,2'-BIPHENOLS USING SELENIUM DIOXIDE EVONIK DEGUSSA GMBH (DE) 2015-11-26 US disclosed
EP-2346887-B1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES DOW TECHNOLOGY INVESTMENTS LLC (US) 2013-12-25 EP disclosed
US-8546600-B2 Slurry process for synthesis of bisphosphites and situ use thereof for producing bisphosphite DOW TECHNOLOGY INVESTMENTS LLC 2013-10-01 US disclosed
US-20110196166-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES AND SITU USE THEREOF FOR PRODUCING BISPHOSPHITE DOW TECHNOLOGY INVESTMENTS LLC 2011-08-11 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 (3 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-20160152645-A1 TRANSITION METAL CARBENE COMPLEX AND METHOD OF PRODUCING THE SAME C5, CYC1, C1S CYP2C19 97/4885CYP2C9 277/4885CYP1A2 77/4885
US-20150336865-A1 PROCESS FOR PREPARING 2,2'-BIPHENOLS USING SELENIUM DIOXIDE SELENOI, PLK1, BPGM CYP2C19 514/4885CYP2C9 1044/4885CYP1A2 336/4885
US-20110196166-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES AND SITU USE THEREOF FOR PRODUCING BISPHOSPHITE SOST, PLCB3, PPIP5K2 CYP2C19 2320/4885CYP2C9 1721/4885CYP1A2 4219/4885

“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.