SCHEMBL9415795

SCHEMBL9415795

CCCCCCCCNC(=N)NN

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.50
CASP2 P42575 1/20 0.45
SPHK1 Q9NYA1 4/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
NAAA Q02083 1/20 0.42
SPHK2 Q9NRA0 1/20 0.41
RRM1 P23921 1/20 0.41
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL9290904 1.00 EPHX1 (0.50) EPHX1CASP2SPHK1ZDHHC20ZDHHC2
SCHEMBL4400254 0.98 EPHX1 (0.46) EPHX1CASP2SPHK1ZDHHC20ZDHHC2
Iodide SCHEMBL4399927 0.96 EPHX1 (0.45) EPHX1CASP2SPHK1ZDHHC20ZDHHC2
Bromide SCHEMBL5326683 0.96 EPHX1 (0.45) EPHX1CASP2SPHK1ZDHHC20ZDHHC2
SCHEMBL9290794 0.91
Iodide SCHEMBL11150659 0.89 GRIN2D (0.41) EPHX1SPHK1
Hydrochloric Acid SCHEMBL9325329 0.89 GRIN2D (0.41) EPHX1SPHK1
SCHEMBL14771505 0.89 SMN1; SMN2 (0.40) EPHX1SPHK1
SCHEMBL1272676 0.86 EPHX1 (0.58) EPHX1CASP2SPHK1ZDHHC20ZDHHC2
SCHEMBL10487390 0.86 EPHX1 (0.58) EPHX1CASP2SPHK1ZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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 EPHX1 3866/4885CASP2 2163/4885SPHK1 1777/4885
US-20180104162-A1 COMPOSITION COMPRISING DECANAL OR AS ACTIVE INGREDIENTS FOR PREVENTING HAIR LOSS OR STIMULATING HAIR GROWTH TYR, CUTA, FGF1 EPHX1 3866/4885CASP2 2163/4885SPHK1 1777/4885

“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.