SCHEMBL13517982

SCHEMBL13517982

COC(=O)C1C2CC(C(C)C2C)C1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.42
▸ PPM1B O75688 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PPP1CC P36873 1/20 0.39
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SLC6A3 Q01959 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
SCHEMBL12927846 0.92 PPM1B (0.47) CYP2C19PPM1BPTPN1PPP1CCCHRNB2
SCHEMBL17300388 0.91 CYP2C19 (0.39) CYP2C19PPM1BPTPN1PPP1CCCHRNB2
SCHEMBL12732732 0.87 PPM1B (0.43) CYP2C19PPM1BPTPN1PPP1CCCHRNB2
SCHEMBL12429788 0.87 MAPK1 (0.35) CYP2C19PPM1BPTPN1PPP1CCCHRNB2
SCHEMBL24404660 0.85 PPM1B (0.42) CYP2C19PPM1BPTPN1PPP1CCCHRNB2
SCHEMBL12429774 0.81 ALDH1A1 (0.35) CYP2C19PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL21944022 0.81 PPM1B (0.39) CYP2C19PPM1BPTPN1PPP1CCCHRNB2
SCHEMBL25720122 0.80 ALDH1A1 (0.34) CYP2C19ALDH1A1GLAHPGDHTT
SCHEMBL12732743 0.79 PPM1B (0.52) CYP2C19PPM1BPTPN1PPP1CCCHRNB2
SCHEMBL25720128 0.79 CYP17A1 (0.34) CHRNB2CHRNA4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308563-B2 Process for producing ethylene oligomers HANWHA TOTAL PETROCHEMICAL CO., LTD. (KR) 2019-06-04 — — US disclosed
EP-2524930-B1 PREPARATION METHOD OF SOLID CATALYST FOR PROPYLENE POLYMERIZATION, AND CATALYST PREPARED THEREBY HANWHA TOTAL PETROCHEMICAL CO LTD (KR) 2018-09-12 — — EP disclosed
US-20180169642-A1 CATALYST SYSTEM FOR ETHYLENE OLIGOMERIZATION AND METHOD FOR PRODUCING ETHYLENE OLIGOMERIZATION USING THE SAME HANWHA TOTAL PETROCHEMICAL CO., LTD. (KR) 2018-06-21 — — US disclosed
US-20180170827-A1 PROCESS FOR PRODUCING ETHYLENE OLIGOMERS HANWHA TOTALENERGIES PETROCHEMICAL CO., LTD. (KR) 2018-06-21 — — US disclosed
US-9045572-B2 Preparation method of solid catalyst for propylene polymerization and catalyst prepared thereby SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2015-06-02 — — US disclosed
US-20140005345-A1 SOLID CATALYST FOR PROPYLENE POLYMERIZATION AND A METHOD FOR PREPARATION OF POLYPROPYLENE HANWHA TOTAL PETROCHEMICAL CO., LTD. (KR) 2014-01-02 — — US disclosed
US-8394734-B2 Solid catalyst for propylene polymerization and a method for preparation of polypropylene using the same SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2013-03-12 — — US disclosed
US-20130017946-A1 PREPARATION METHOD OF SOLID CATALYST FOR PROPYLENE POLYMERIZATION AND CATALYST PREPARED THEREBY SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2013-01-17 — — US disclosed
EP-2524930-A2 PREPARATION METHOD OF SOLID CATALYST FOR PROPYLENE POLYMERIZATION, AND CATALYST PREPARED THEREBY Samsung Total Petrochemicals Co. Ltd. (KR) 2012-11-21 — — EP disclosed
US-20120277389-A1 SOLID CATALYST FOR PROPYLENE POLYMERIZATION AND A METHOD FOR PREPARATION OF POLYPROPYLENE USING THE SAME SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2012-11-01 — — 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-10308563-B2 Process for producing ethylene oligomers OXER1, HAO2, ORC3 CYP2C19 613/4885PPM1B 4279/4885PTPN1 4333/4885
US-20180169642-A1 CATALYST SYSTEM FOR ETHYLENE OLIGOMERIZATION AND METHOD FOR PRODUCING ETHYLENE OLIGOMERIZATION USING THE SAME HACL2, HAO2, MSMO1 CYP2C19 340/4885PPM1B 4507/4885PTPN1 4589/4885
US-20180170827-A1 PROCESS FOR PRODUCING ETHYLENE OLIGOMERS OXER1, HAO2, ORC3 CYP2C19 613/4885PPM1B 4279/4885PTPN1 4333/4885

“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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