Sugi Predict

Sugi Predict / Compounds / SCHEMBL106091

SCHEMBL106091

SCHEMBL106091

COC(=O)C=C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ HCAR2 Q8TDS4 2/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ESR2 Q92731 1/20 0.32
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SPR P35270 1/20 0.31
▸ PRKCA P17252 2/20 0.31
▸ CA12 O43570 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
SCHEMBL8089816 1.00 TSHR (0.41) TSHRHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL8098922 1.00 TSHR (0.41) TSHRHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL873013 0.98 TSHR (0.42) TSHRHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL620969 0.93 — —
SCHEMBL518574 0.88 — —
SCHEMBL1187818 0.80 TSHR (0.43) TSHRHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL1035256 0.80 TSHR (0.43) TSHRHCAR2KEAP1NFE2L2ALDH1A1
Hydrochloric Acid SCHEMBL23037273 0.78 TSHR (0.42) TSHRHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL25223710 0.78 TSHR (0.46) TSHRHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL3264014 0.78 TSHR (0.39) TSHRHCAR2KEAP1NFE2L2ALDH1A1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4299969-A Method for preparing lower alkyl β-(S-benzylmercapto)-β,β-pentamethylenepropionates SMITHKLINE CORPORATION (US) 1981-11-10 — — US claimed
WO-2024055226-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS PREPARING FROM EXO-CYCLIC π-SYSTEMS. SOUTHERN UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2024-03-21 — — WO disclosed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 — — EP disclosed
CN-102159207-B Substituted pyrrolidine-2-carboxamides HOFFMANN LA ROCHE 2015-02-04 — — CN disclosed
US-8481546-B2 CGRP receptor antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-09 — — US disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 — — US disclosed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 — — EP disclosed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 — — EP disclosed
US-20120059017-A1 CGRP Receptor Antagonist BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 — — US disclosed
US-8053577-B2 Derivatives of 5,9-methanocycloocta[b]pyridin-2-(1H)-one, their preparation and use as analgesics ZHANG HESHENG 2011-11-08 — — US disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 — — US disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 — — US disclosed
WO-2008073623-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-06-19 — — WO disclosed
WO-2008073623-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-06-19 — — WO disclosed
EP-1471069-B1 Preparation of silyl ketene acetals and disilyl ketene acetals SHINETSU CHEMICAL CO (JP) 2007-04-18 — — EP disclosed
US-7112710-B2 Preparation of silyl ketene acetal and disilyl ketene acetal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2006-09-26 — — US disclosed
US-20050256329-A1 Preparation of silyl ketene acetal and disilyl ketene acetal KIYOMORI AYUMU 2005-11-17 — — US disclosed
US-6960679-B2 Preparation of silyl ketene acetal and disilyl ketene acetal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-11-01 — — US disclosed
US-20040215033-A1 Preparation of silyl ketene acetal and disilyl ketene acetal SHIN-ETSU CHEMICAL CO. LTD. (JP) 2004-10-28 — — US disclosed
EP-1471069-A1 Preparation of silyl ketene acetals and disilyl ketene acetals SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-10-27 — — EP 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 (4 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-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 TSHR 4382/4885HCAR2 161/4885KEAP1 309/4885
US-20050256329-A1 Preparation of silyl ketene acetal and disilyl ketene acetal TREH, DEGS1, PHYKPL TSHR 3406/4885HCAR2 1204/4885KEAP1 1904/4885
US-20120059017-A1 CGRP Receptor Antagonist CALCRL, PTGIR, CALCR TSHR 550/4885HCAR2 426/4885KEAP1 861/4885
US-20040215033-A1 Preparation of silyl ketene acetal and disilyl ketene acetal TREH, PHYKPL, KAT8 TSHR 3402/4885HCAR2 952/4885KEAP1 2147/4885

“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.