SCHEMBL19153180

SCHEMBL19153180

CC(C)CC1(CC(C)C)c2ccccc2-c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.36
▸ PDK2 Q15119 6/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL19152742 0.89 SMN1; SMN2 (0.37) CYP2C9CYP2C19PDK2PTPN1PTPN5
SCHEMBL19153246 0.87 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19152741 0.84 ALDH1A1 (0.40) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL19153104 0.83 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19152845 0.81 HSP90AA1 (0.40) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19152735 0.76 SMN1; SMN2 (0.40) CYP2C9CYP2C19PDK2PTPN1PTPN5
SCHEMBL19153355 0.75 PTPN5 (0.44) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19152599 0.74 HDAC4 (0.36) PDK2NPC1ALDH1A1NFKB1CASP3
SCHEMBL19153060 0.73 PDK2 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19HSP90AA1
SCHEMBL19153194 0.73 KDR (0.36) PDK2ALDH1A1

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 1 patent. 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

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-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 CYP1A2 1607/4885CYP3A4 985/4885CYP2C9 3351/4885

“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.

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