SCHEMBL607685

SCHEMBL607685

CCC(C(=O)/C=C/c1ccc(N(C)C)cc1)C(=O)/C=C/c1ccc(N(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.62
MMP13 P45452 3/20 0.53
TLR9 Q9NR96 2/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
MMP8 P22894 1/20 0.51
MAOB P27338 4/20 0.51
MAPT P10636 4/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
ALPG P10696 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL607686 1.00 HSD17B3 (0.62) HSD17B3MMP13TLR9CRHBPCRHR2
SCHEMBL11142004 0.81 HSD17B3 (0.68) HSD17B3MMP13TLR9CRHBPCRHR2
SCHEMBL11142007 0.81 HSD17B3 (0.68) HSD17B3MMP13TLR9CRHBPCRHR2
SCHEMBL19577998 0.80 HSD17B3 (0.57) HSD17B3MMP13TLR9CRHBPCRHR2
SCHEMBL11142130 0.78 HSD17B3 (0.68) HSD17B3TLR9CRHBPCRHR2MMP8
SCHEMBL11142134 0.78 HSD17B3 (0.68) HSD17B3TLR9CRHBPCRHR2MMP8
SCHEMBL5598938 0.78 MMP8 (0.77) HSD17B3TLR9CRHBPCRHR2MMP8
SCHEMBL5598935 0.78 MMP8 (0.77) HSD17B3TLR9CRHBPCRHR2MMP8
SCHEMBL814395 0.77 HSD17B3 (1.00) HSD17B3TLR9CRHBPCRHR2MMP8
SCHEMBL3050207 0.77 HSD17B3 (1.00) HSD17B3TLR9CRHBPCRHR2MMP8

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 6 patents. 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-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
EP-3038621-B1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RES INSTITUTE (US) 2020-12-02 EP 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-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 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 (5 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-10874766-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 HSD17B3 2608/4885MMP13 15/4885TLR9 2057/4885
US-11596716-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 HSD17B3 2143/4885MMP13 13/4885TLR9 2565/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 HSD17B3 2143/4885MMP13 13/4885TLR9 2565/4885
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 HSD17B3 3186/4885MMP13 15/4885TLR9 1928/4885
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG HSD17B3 4468/4885MMP13 1776/4885TLR9 280/4885

“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.