SCHEMBL19153355

SCHEMBL19153355

CC(C)CC1(CC(C)C)c2ccccc2-c2ccc(-c3cccc(C(C)C)c3O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 1/20 0.44
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ HTR2B P41595 1/20 0.39

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
SCHEMBL19152833 0.86 PTPN5 (0.43) PTPN5LMNACYP1A2CYP3A4HIF1A
SCHEMBL19153200 0.82 PTPN5 (0.47) PTPN5LMNACYP1A2CYP3A4HIF1A
SCHEMBL19152599 0.81 HDAC4 (0.36) LMNAPDK2TP53MAPT
SCHEMBL19153060 0.78 PDK2 (0.40) LMNACYP1A2CYP3A4HPGDPDK2
SCHEMBL19153098 0.76 PDK2 (0.36) PTPN5LMNACYP1A2CYP3A4HIF1A
SCHEMBL19153180 0.75 CYP1A2 (0.39) PTPN5CYP1A2CYP3A4TSHRPDK2
SCHEMBL19152742 0.75 SMN1; SMN2 (0.37) PTPN5HIF1ACA2PDK2CYP2D6
SCHEMBL19153194 0.75 KDR (0.36) HPGDPDK2ALOX5APFEN1
SCHEMBL19152741 0.75 ALDH1A1 (0.40) HPGDTRPV1PDK2CYP2D6MAPT
SCHEMBL19153181 0.75 ALOX5 (0.41) LMNACYP1A2CYP3A4PDK2CYP2D6

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 4757/4885LMNA 4120/4885CYP1A2 1607/4885

“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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