SCHEMBL607704

SCHEMBL607704

CN(C)c1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.77
FOS P01100 1/20 0.67
JUN P05412 1/20 0.67
GSK3B P49841 3/20 0.64
BACE1 P56817 3/20 0.64
TLR9 Q9NR96 2/20 0.64
MAPT P10636 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
CASP3 P42574 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP1B1 Q16678 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
RELA Q04206 1/20 0.52
HDAC3 O15379 1/20 0.51

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
SCHEMBL607705 1.00 HSD17B3 (0.77) HSD17B3FOSJUNGSK3BBACE1
SCHEMBL608872 0.88 HSD17B3 (0.74) HSD17B3FOSJUNGSK3BBACE1
SCHEMBL608873 0.88 HSD17B3 (0.74) HSD17B3FOSJUNGSK3BBACE1
SCHEMBL814395 0.87 HSD17B3 (1.00) HSD17B3TLR9MAPTNPC1RAB9A
SCHEMBL3050207 0.87 HSD17B3 (1.00) HSD17B3TLR9MAPTNPC1RAB9A
SCHEMBL814396 0.87 HSD17B3 (1.00) HSD17B3TLR9MAPTNPC1RAB9A
SCHEMBL10061363 0.86 MMP8 (0.74) HSD17B3FOSJUNGSK3BBACE1
SCHEMBL11319298 0.84 HSD17B3 (0.86) HSD17B3TLR9MAPTNPC1RAB9A
SCHEMBL11319313 0.84 HSD17B3 (0.86) HSD17B3TLR9MAPTNPC1RAB9A
SCHEMBL29045953 0.82 HSD17B3 (0.82) HSD17B3TLR9MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11596716-B2 Compounds and matrices for use in bone growth and repair HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2023-03-07 US disclosed
US-20220152001-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2022-05-19 US disclosed
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2021-05-13 US disclosed
US-10874766-B2 Compounds and matrices for use in bone growth and repair HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2020-12-29 US disclosed
US-20200383958-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-12-10 US disclosed
EP-3038621-B1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RES INSTITUTE (US) 2020-12-02 EP disclosed
US-10744124-B2 Human therapeutic agents ANKH LIFE SCIENCES LIMITED (IE) 2020-08-18 US disclosed
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-05-14 US disclosed
EP-3275465-B1 THERAPEUTIC COMPOSITIONS COMPRISING A COMBINATION OF A HARMINE AND ISOVANILLIN COMPONENT ANKH LIFE SCIENCES LTD (IE) 2020-05-06 EP disclosed
US-10576067-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof ANKH LIFE SCIENCES LIMITED (IE) 2020-03-03 US disclosed
US-20170105976-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF Ions Pharmaceutical S.à r.I. (LU) 2017-04-20 US disclosed
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2016-02-11 US disclosed
US-20150158841-A1 Curcumin Analogs THE GENERAL HOSPITAL CORPORATION (US) 2015-06-11 US disclosed
US-20150158841-A1 Curcumin Analogs THE GENERAL HOSPITAL CORPORATION (US) 2015-06-11 US disclosed
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 US disclosed
WO-2010068935-A2 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2010-06-17 WO disclosed
WO-2010068935-A2 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2010-06-17 WO disclosed
US-20090263492-A1 Diagnostic Methods and Genetic Markers for Alzheimer Disease HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2009-10-22 US disclosed
WO-2008048410-A9 DIAGNOSTIC METHODS AND GENETIC MARKERS FOR ALZHEIMER DISEASE HUMAN BIOMOLECULAR RES INST (US) 2008-06-26 WO disclosed
WO-2008048410-A2 DIAGNOSTIC METHODS AND GENETIC MARKERS FOR ALZHEIMER DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2008-04-24 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 (13 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-10744124-B2 Human therapeutic agents INMT, HNMT, HASPIN HSD17B3 2643/4885FOS 4377/4885JUN 2377/4885
US-10874766-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 HSD17B3 2608/4885FOS 470/4885JUN 2257/4885
US-11596716-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 HSD17B3 2143/4885FOS 308/4885JUN 1770/4885
US-20090263492-A1 Diagnostic Methods and Genetic Markers for Alzheimer Disease CHAT, SLC18A3, GAP43 HSD17B3 1151/4885FOS 4099/4885JUN 4432/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 HSD17B3 2143/4885FOS 308/4885JUN 1770/4885
US-20170105976-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT HSD17B3 1658/4885FOS 4516/4885JUN 2579/4885
US-20220152001-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN HSD17B3 2643/4885FOS 4377/4885JUN 2377/4885
US-20150158841-A1 Curcumin Analogs APP, BACE1, PSEN1 HSD17B3 3362/4885FOS 3360/4885JUN 1640/4885
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN HSD17B3 2643/4885FOS 4377/4885JUN 2377/4885
US-20200383958-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN HSD17B3 2643/4885FOS 4377/4885JUN 2377/4885
US-10576067-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof INMT, HNMT, COMT HSD17B3 1658/4885FOS 4516/4885JUN 2579/4885
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 HSD17B3 3186/4885FOS 465/4885JUN 2775/4885
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG HSD17B3 4468/4885FOS 4116/4885JUN 4222/4885

“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.