SCHEMBL1627404

SCHEMBL1627404

Cc1cc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
PDK2 Q15119 13/20 0.41
HSPA5 P11021 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
PTPN1 P18031 1/20 0.35
PTPN5 P54829 1/20 0.35

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
SCHEMBL19152845 0.87 HSP90AA1 (0.40) ALDH1A1PDK2CYP2C9CYP2C19PTPN1
SCHEMBL19152735 0.84 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL19152742 0.81 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL19152594 0.79 CNR1 (0.37) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL19153357 0.77 NPSR1 (0.51) SMN1; SMN2ALDH1A1POLBPDK2
SCHEMBL16020419 0.76 CA2 (0.57) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL17500171 0.76 CA2 (0.59) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL31027271 0.76 CA2 (0.59) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL17500091 0.75 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL30595509 0.75 PDK2 (0.46) PDK2

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
US-20170204129-A1 NOVEL TRANSITION METAL COMPOUND, TRANSITION METAL CATALYST COMPOSITION FOR POLYMERIZING OLEFIN, CONTAINING SAME, AND METHOD FOR PREPARING ETHYLENE HOMOPOLYMER OR COPOLYMER OF ETHYLENE AND ALPHA-OLEFIN BY USING SAME SABIC SK NEXLENE COMPANY PTE. LTD. (SG) 2017-07-20 US disclosed
US-8232359-B2 Process for preparing ethylene homopolymers or copolymers of ethylene with α-olefin by using the transition metal compound SK INNOVATION CO., LTD. (KR) 2012-07-31 US disclosed
US-20110319576-A1 PROCESS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE WITH ALPHA-OLEFIN BY USING THE TRANSITION METAL COMPOUND SK ENERGY CO., LTD. (KR) 2011-12-29 US disclosed
EP-2326654-A2 TRANSITION METAL CATALYTIC SYSTEMS AND METHODS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND - OLEFINS USING THE SAME. SK Energy Co., Ltd. (KR) 2011-06-01 EP disclosed
US-20110098426-A1 TRANSITION METAL CATALYTIC SYSTEMS AND METHODS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF THE ETHYLENE AND a-OLEFINS USING THE SAME SK ENERGY CO., LTD. (KR) 2011-04-28 US disclosed
US-7928173-B2 Transition metal catalytic systems and methods for preparing ethylene homopolymers or copolymers of ethylene and α-olefins using the same SK ENERGY CO., LTD. (KR) 2011-04-19 US disclosed
US-20100081776-A1 TRANSITION METAL CATALYTIC SYSTEMS AND METHODS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND a-OLEFINS USING THE SAME SABIC SK NEXLENE COMPANY PTE. LTD. (SG) 2010-04-01 US disclosed
WO-2010036025-A2 TRANSITION METAL CATALYTIC SYSTEMS AND METHODS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND α- OLEFINS USING THE SAME. SK ENERGY CO., LTD. (KR) 2010-04-01 WO 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-20100081776-A1 TRANSITION METAL CATALYTIC SYSTEMS AND METHODS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND a-OLEFINS USING THE SAME ESR1, AOC3, PPOX SMN1; SMN2 1853/4885ALDH1A1 1685/4885CA2 1460/4885
US-20110098426-A1 TRANSITION METAL CATALYTIC SYSTEMS AND METHODS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF THE ETHYLENE AND a-OLEFINS USING THE SAME ESR1, AOC3, AOC2 SMN1; SMN2 1999/4885ALDH1A1 1883/4885CA2 1401/4885
US-20170204129-A1 NOVEL TRANSITION METAL COMPOUND, TRANSITION METAL CATALYST COMPOSITION FOR POLYMERIZING OLEFIN, CONTAINING SAME, AND METHOD FOR PREPARING ETHYLENE HOMOPOLYMER OR COPOLYMER OF ETHYLENE AND ALPHA-OLEFIN BY USING SAME ETFA, ETFB, EMC2 SMN1; SMN2 2899/4885ALDH1A1 2989/4885CA2 2956/4885

“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.