SCHEMBL9415798

SCHEMBL9415798

CCCCCCCCN=C(N)NN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NOS1 P29475 1/20 0.54
SIGMAR1 Q99720 3/20 0.53
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
USP2 O75604 3/20 0.49
TP53 P04637 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 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
SCHEMBL9290906 1.00 MEN1 (0.61) MEN1KMT2ANOS1SIGMAR1GRIN2D
SCHEMBL4575003 0.98 MEN1 (0.58) MEN1KMT2ANOS1SIGMAR1GRIN2D
Iodide SCHEMBL4574651 0.96 MEN1 (0.56) MEN1KMT2ANOS1SIGMAR1GRIN2D
SCHEMBL9290797 0.91
SCHEMBL20779515 0.84 LMNA (0.55) MEN1KMT2ANOS1SIGMAR1GRIN2D
Maleic Acid SCHEMBL5151421 0.84 MEN1 (0.44) MEN1KMT2ANOS1SIGMAR1GRIN2D
SCHEMBL9290971 0.81
SCHEMBL7041301 0.81 MEN1 (0.59) MEN1KMT2ASIGMAR1GRIN2DGRIN3B
SCHEMBL6159793 0.81 GRIN2D (0.62) MEN1KMT2ASIGMAR1GRIN2DGRIN3B
SCHEMBL5178061 0.81 MEN1 (0.59) MEN1KMT2ASIGMAR1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117150690-A Pipe network layout erosion rate optimizing method and system 中国计量大学 2023-12-01 CN disclosed
US-10617612-B2 Composition comprising decanal or as active ingredients for preventing hair loss or stimulating hair growth INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2020-04-14 US disclosed
WO-2018070707-A1 COMPOSITION FOR PREVENTING OR TREATING MUSCLE DISEASE COMPRISING DECANAL OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AS ACTIVE INGREDIENT 연세대학교 산학협력단 2018-04-19 WO disclosed
WO-2018070706-A1 COMPOSITION FOR PREVENTING HAIR LOSS OR PROMOTING HAIR GROWTH COMPRISING DECANAL OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AS ACTIVE INGREDIENT 연세대학교 산학협력단 2018-04-19 WO disclosed
US-20180104162-A1 COMPOSITION COMPRISING DECANAL OR AS ACTIVE INGREDIENTS FOR PREVENTING HAIR LOSS OR STIMULATING HAIR GROWTH INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI U NIVERSITY (KR) 2018-04-19 US disclosed
EP-0603160-A2 Compositions for in-situ active compound assembly SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1994-06-22 EP disclosed
EP-0312543-A4 _I(IN SITU) ACTIVE COMPOUND ASSEMBLY 1990-12-27 EP disclosed
EP-0312543-A1 $i(IN SITU) ACTIVE COMPOUND ASSEMBLY SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1989-04-26 EP disclosed
US-4812449-A SYNTHESIS AT TARGET SITES, MICROENVIRONMENT SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1989-03-14 US disclosed
WO-1988000047-A1 IN SITU ACTIVE COMPOUND ASSEMBLY SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1988-01-14 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-10617612-B2 Composition comprising decanal or as active ingredients for preventing hair loss or stimulating hair growth TYR, CUTA, FGF1 MEN1 865/4885KMT2A 2124/4885NOS1 1836/4885
US-20180104162-A1 COMPOSITION COMPRISING DECANAL OR AS ACTIVE INGREDIENTS FOR PREVENTING HAIR LOSS OR STIMULATING HAIR GROWTH TYR, CUTA, FGF1 MEN1 865/4885KMT2A 2124/4885NOS1 1836/4885

“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.