SCHEMBL3093532

SCHEMBL3093532

COCCNc1ccc(N(C(C)O)C(C)O)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.60
LMNA P02545 2/20 0.58
ALDH1A1 P00352 7/20 0.56
MAPT P10636 5/20 0.56
RAB9A P51151 2/20 0.56
PTGER4 P35408 1/20 0.56
POLB P06746 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 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
SCHEMBL28279491 0.86 ALDH1A1 (0.67) HCAR3LMNAALDH1A1MAPTRAB9A
SCHEMBL6142287 0.85 ALDH1A1 (0.52) HCAR3LMNAALDH1A1MAPTKMT2A
SCHEMBL5552716 0.85 ALDH1A1 (0.58) HCAR3ALDH1A1MAPTPOLBTSHR
SCHEMBL109334 0.81 ALDH1A1 (0.77) HCAR3LMNAALDH1A1MAPTRAB9A
SCHEMBL1885551 0.78 HCAR3 (0.48) HCAR3LMNAALDH1A1MAPTKMT2A
SCHEMBL5839671 0.77 ALDH1A1 (0.61) HCAR3LMNAALDH1A1MAPTRAB9A
SCHEMBL2716434 0.77 LMNA (0.70) HCAR3LMNAALDH1A1MAPTRAB9A
SCHEMBL18075204 0.76 HCAR3 (0.67) HCAR3LMNAALDH1A1MAPTRAB9A
SCHEMBL15595336 0.76 LMNA (0.68) HCAR3LMNAALDH1A1MAPTRAB9A
SCHEMBL15774731 0.76 LMNA (0.68) HCAR3LMNAALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070251028-A1 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent L'OREAL S.A. (FR) 2007-11-01 US claimed
US-7799093-B2 Coloring composition of keratinous fibers comprising at least one polysiloxane/polyurea block copolymer L'ORéAL S.A. (FR) 2010-09-21 US disclosed
US-20080127429-A1 Coloring composition of keratinous fibers comprising at least one polysiloxane/polyurea block copolymer L'OREAL S.A. (FR) 2008-06-05 US disclosed
US-20070251028-A1 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent L'OREAL S.A. (FR) 2007-11-01 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 (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-20070251028-A1 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent KRT18, DSG1, IK HCAR3 2420/4885LMNA 800/4885ALDH1A1 18/4885
US-20080127429-A1 Coloring composition of keratinous fibers comprising at least one polysiloxane/polyurea block copolymer KRT18, PUF60, VIM HCAR3 3619/4885LMNA 649/4885ALDH1A1 2435/4885

“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.