SCHEMBL4093088

SCHEMBL4093088

COC(=O)CCCCNC(=N)N

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
EPHX2 P34913 6/20 0.47
LMNA P02545 2/20 0.47
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL4103229 0.98 EPHX2 (0.50) TSHREPHX2LMNAALOX15ALDH1A1
SCHEMBL4103840 0.94 TSHR (0.54) TSHREPHX2LMNAALOX15ALDH1A1
SCHEMBL4103385 0.86 TSHR (0.50) TSHREPHX2LMNAALOX15ALDH1A1
SCHEMBL349163 0.85 ALOX15 (0.43) TSHREPHX2LMNAALOX15ALDH1A1
SCHEMBL4099875 0.84 CYP1A2 (0.52) EPHX2ALDH1A1SMN1; SMN2CYP1A2KMT2A
SCHEMBL2033309 0.82 TSHR (0.54) TSHREPHX2LMNAALDH1A1RECQL
SCHEMBL4100220 0.82 EPHX2 (0.51) TSHREPHX2ALOX15ALDH1A1SMN1; SMN2
SCHEMBL4094098 0.82 ADRA1A (0.49) TSHREPHX2SMN1; SMN2RECQL
SCHEMBL437938 0.81 SMN1; SMN2 (0.50) ALOX15ALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL4111544 0.81 LMNA (0.54) EPHX2LMNAALOX15ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912650-B2 Bakuchiol derivatives, pharmaceutically acceptable salts thereof, and preparation method and use of the same JIANGXI SHIMEI PHARMACEUTICAL CO., LTD (CN) 2024-02-27 US disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA TSHR 1694/4885EPHX2 3781/4885LMNA 117/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 TSHR 3766/4885EPHX2 2648/4885LMNA 132/4885
US-11912650-B2 Bakuchiol derivatives, pharmaceutically acceptable salts thereof, and preparation method and use of the same CEL, NPC1L1, LIPA TSHR 2886/4885EPHX2 2026/4885LMNA 2781/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 TSHR 3770/4885EPHX2 2936/4885LMNA 85/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT TSHR 1691/4885EPHX2 3448/4885LMNA 129/4885

“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.