SCHEMBL13517166

SCHEMBL13517166

CC(C)COC(=O)C1C2CC(C)C(C2)C1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 3/20 0.35
PPARG P37231 1/20 0.33
PPM1B O75688 2/20 0.33
PTPN1 P18031 2/20 0.33
PPP1CC P36873 2/20 0.33
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL13517886 0.95 RAB9A (0.40) HSP90AA1HSP90AB1RAB9AALDH1A1NPC1
SCHEMBL13517165 0.92 HSP90AA1 (0.36) HSP90AA1HSP90AB1RAB9AALDH1A1NPC1
SCHEMBL13518250 0.81 HSP90AA1 (0.38) HSP90AA1HSP90AB1RAB9AALDH1A1NPC1
SCHEMBL27933228 0.81 PPM1B (0.47) ALDH1A1TSHRPPM1BPTPN1PPP1CC
SCHEMBL13517008 0.81 PPP5C (0.33)
SCHEMBL16424387 0.79 PPP5C (0.35) PPM1BPTPN1PPP1CCPOLB
SCHEMBL27948535 0.78 PPP5C (0.31)
SCHEMBL3277776 0.78 PPP5C (0.39) ALDH1A1HTTPOLB
SCHEMBL27933025 0.78 PPARG (0.43) RAB9AALDH1A1NPC1TSHRPPARG
SCHEMBL13517785 0.78 RAB9A (0.56) HSP90AA1HSP90AB1RAB9AALDH1A1NPC1

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 6 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
US-20180170827-A1 PROCESS FOR PRODUCING ETHYLENE OLIGOMERS HANWHA TOTALENERGIES PETROCHEMICAL CO., LTD. (KR) 2018-06-21 US 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-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-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 HSP90AA1 4262/4885HSP90AB1 3890/4885RAB9A 3258/4885
US-20180169642-A1 CATALYST SYSTEM FOR ETHYLENE OLIGOMERIZATION AND METHOD FOR PRODUCING ETHYLENE OLIGOMERIZATION USING THE SAME HACL2, HAO2, MSMO1 HSP90AA1 4234/4885HSP90AB1 3869/4885RAB9A 3554/4885
US-20180170827-A1 PROCESS FOR PRODUCING ETHYLENE OLIGOMERS OXER1, HAO2, ORC3 HSP90AA1 4262/4885HSP90AB1 3890/4885RAB9A 3258/4885

“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.