SCHEMBL9796702

SCHEMBL9796702

C=CC(C)CC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 8/20 0.41
TRPA1 O75762 1/20 0.41
TSHR P16473 3/20 0.39
ALOX15 P16050 3/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CHRM1 P11229 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
SOAT1 P35610 1/20 0.34
CYP2D6 P10635 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 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
SCHEMBL13435847 1.00 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4548427 0.84 TSHR (0.37) ALDH1A1TSHRTDP1LMNA
SCHEMBL27163809 0.82 TSHR (0.53) GAAALDH1A1TSHRTDP1HSD17B10
SCHEMBL3336259 0.81 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13319194 0.81 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10405814 0.81 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3332151 0.81 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27163257 0.80 L3MBTL1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6118705 0.79 GAA (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28014172 0.79 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116284527-A Ultrahigh molecular weight polyolefin and preparation method thereof 中国石油化工股份有限公司 2023-06-23 CN disclosed
US-10934531-B2 Method for enantioselective carbene C—H insertion using an iron-containing protein catalyst CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-03-02 US disclosed
US-20190276805-A1 METHOD FOR ENANTIOSELECTIVE CARBENE C-H INSERTION USING AN IRON-CONTAINING PROTEIN CATALYST CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-09-12 US disclosed
WO-2019147865-A1 A METHOD FOR ENANTIOSELECTIVE CARBENE C-H INSERTION USING AN IRON-CONTAINING PROTEIN CATALYST CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-08-01 WO disclosed
EP-2721053-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 EP disclosed
EP-2721053-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 EP disclosed
EP-2721053-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-04-23 EP disclosed
US-20130142754-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-06-06 US disclosed
US-20130142754-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-06-06 US disclosed
US-20130142754-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-06-06 US disclosed
WO-2012173983-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-20 WO disclosed
US-4999451-A Process for preparing dihalovinylcyclopropanecarboxylates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-03-12 US disclosed
EP-0232712-B1 PROCESS FOR THE PREPARATION OF NITRILES BASF Aktiengesellschaft (DE) 1990-09-26 EP disclosed
US-4833266-A Process for preparing dihalovinylcyclopropanecarboxylates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-05-23 US disclosed
EP-0232712-A1 Process for the preparation of nitriles BASF Aktiengesellschaft (DE) 1987-08-19 EP disclosed
US-4681953-A Process for preparing dihalovinylcyclopropanecarboxylates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-07-21 US disclosed
US-4560401-A USING 3-ALKYL-2-CARBOXYAZETIDINE SHELL OIL COMPANY (US) 1985-12-24 US disclosed
US-4454343-A Intermediates in a process for preparing dihalovinylcyclopropanecarboxylates FMC CORPORATION (US) 1984-06-12 US disclosed
US-4214097-A Process for preparing dihalovinylcyclopropanecarboxylates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-07-22 US disclosed
US-3966799-A FLAVORS FOR FOODS, CHEWING GUM, AND MEDICINES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-06-29 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-20130142754-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 MGAM 2291/4885GAA 132/4885SI 768/4885

“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.