SCHEMBL5899536

SCHEMBL5899536

CCOC(=O)c1ccc(OC)c(I)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.65
MAPT P10636 5/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
TSHR P16473 1/20 0.53
LMNA P02545 3/20 0.52
KDM4E B2RXH2 3/20 0.50
ESR1 P03372 2/20 0.50
POLB P06746 1/20 0.50
ESR2 Q92731 1/20 0.50

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
SCHEMBL6032945 0.87 HSD17B2 (0.69) HSD17B2MAPTMEN1GAAKMT2A
SCHEMBL4985115 0.87 CA12 (0.54) HSD17B2NPC1RAB9ASMN1; SMN2CA12
SCHEMBL30506315 0.85 HSD17B2 (0.76) HSD17B2MAPTMEN1GAAKMT2A
SCHEMBL1660365 0.85 HSD17B2 (0.76) HSD17B2MAPTMEN1GAAKMT2A
SCHEMBL5866557 0.83 HSD17B2 (0.69) HSD17B2MAPTMEN1GAAKMT2A
SCHEMBL1171023 0.83 MAPT (0.62) MAPTMEN1GAAKMT2ANPC1
SCHEMBL31704508 0.83 MAPT (0.62) MAPTMEN1GAAKMT2ANPC1
SCHEMBL28417178 0.83 CA12 (0.61) HSD17B2MAPTMEN1KMT2ARAB9A
SCHEMBL460455 0.82 HSD17B2 (0.77) HSD17B2MAPTMEN1GAAKMT2A
SCHEMBL2091159 0.82 HSD17B2 (0.67) HSD17B2MAPTMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
WO-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC. (US) 2018-05-31 WO disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed
US-7122694-B2 Hydroboronation process BORON MOLECULAR PTY LIMITED (AU) 2006-10-17 US disclosed
CN-1267418-C Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics GALDERMA RES & DEV (FR) 2006-08-02 CN disclosed
US-6992094-B1 Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-31 US disclosed
US-20060014803-A1 Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-19 US disclosed
EP-1127060-B8 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2005-01-05 EP disclosed
US-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 US disclosed
EP-1127060-B1 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2004-04-07 EP disclosed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 US disclosed
EP-1127060-A4 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2002-08-21 EP disclosed
CN-1329615-A Hydroboronation process COMMW SCIENT IND RES ORG (AU) 2002-01-02 CN disclosed
EP-1127060-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-29 EP disclosed
CN-1305458-A Diaryl selenium compounds and their use in human or veterinary medicine and in cosmetics GALDERMA RES & DEV (FR) 2001-07-25 CN disclosed
WO-2000027853-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-05-18 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 (2 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-20040133028-A1 Hydroboronation process ALKBH3, HPD, HVCN1 HSD17B2 440/4885MAPT 4257/4885MEN1 2041/4885
US-20060014803-A1 Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics TYR, DERL1, GPX1 HSD17B2 180/4885MAPT 2524/4885MEN1 1322/4885

“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.