SCHEMBL19153200

SCHEMBL19153200

CC(C)c1cccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 1/20 0.47
▸ GABRA1 P14867 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ FAAH O00519 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43

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
SCHEMBL19153355 0.82 PTPN5 (0.44) PTPN5GABRA1GABRB2LMNACYP1A2
SCHEMBL13378316 0.81 PDK2 (0.40) PDK2ALOX5APFEN1TRPA1
SCHEMBL19152833 0.81 PTPN5 (0.43) PTPN5GABRA1GABRB2LMNACYP1A2
SCHEMBL19153699 0.79 PDK2 (0.49) PTPN5LMNAHIF1APTGS1PDK2
SCHEMBL30595509 0.78 PDK2 (0.46) SLC6A2HTR2CHTR2BPDK2
SCHEMBL626173 0.77 ESR2 (0.46) HPGDPDK2ALOX5APFEN1
SCHEMBL2961760 0.77 PDK2 (0.45) SLC6A2HTR2CHTR2BPDK2
SCHEMBL1649136 0.77 PDK2 (0.47) PDK2
SCHEMBL10356131 0.77 GABRA1 (0.67) PTPN5GABRA1GABRB2LMNACYP1A2
SCHEMBL19153545 0.76 HDAC4 (0.41) SLC6A2PDK2TP53MAPT

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 PTPN5 4757/4885GABRA1 4495/4885GABRB2 4307/4885

“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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