SCHEMBL4875428

SCHEMBL4875428

COC(=O)/C=C(\C)CC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
TSHR P16473 6/20 0.42
HCAR2 Q8TDS4 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
TET2 Q6N021 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL13296266 1.00 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL13751256 0.87 HCAR2 (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL1299991 0.81 HCAR2 (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL6965002 0.79
SCHEMBL2763315 0.79 HCAR2 (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL3135210 0.78
SCHEMBL4424904 0.78
SCHEMBL525821 0.78 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL9912439 0.78
SCHEMBL9654807 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
EP-3286174-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 EP disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 WO disclosed
US-7323589-B2 Intermediates for use in retinoid synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-01-29 US disclosed
US-7148372-B2 Intermediates for use in retinoid synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2006-12-12 US disclosed
US-20060135808-A1 Novel intermediates for use in retinoid synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2006-06-22 US disclosed
US-20060106245-A1 1,1-bis(alkoxycarbonyl)-omega-tert-amino branched chain alkenes or conjugated polyenes; especially for the synthesis of retinoic acid, vitamin A (retinol), retinal, retinonitrile and etretinate CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2006-05-18 US disclosed
US-7009069-B2 Intermediates for use in retinoid synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2006-03-07 US disclosed
US-20040132796-A1 Novel intermediates for use in retinoid synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2004-07-08 US disclosed
US-6281250-B1 ANTICARCINOGENIC AGENTS SOUTHERN RESEARCH INSTITUTE 2001-08-28 US disclosed
WO-1999052846-A2 RETINYL ETHERS, DERIVATIVES AND ANALOGUES AND INHIBITION OF BREAST CARCINOGENESIS SOUTHERN RESEARCH INSTITUTE (US) 1999-10-21 WO 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-20040132796-A1 Novel intermediates for use in retinoid synthesis RXRB, RXRG, RXRA MGAM 4752/4885GAA 4279/4885SI 4026/4885
US-20060106245-A1 1,1-bis(alkoxycarbonyl)-omega-tert-amino branched chain alkenes or conjugated polyenes; especially for the synthesis of retinoic acid, vitamin A (retinol), retinal, retinonitrile and etretinate RBP1, ALDH1A2, RBP4 MGAM 4875/4885GAA 4835/4885SI 4715/4885
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E MGAM 3014/4885GAA 316/4885SI 482/4885
US-20060135808-A1 Novel intermediates for use in retinoid synthesis RXRG, RXRB, RXRA MGAM 4826/4885GAA 4556/4885SI 4182/4885

“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.