SCHEMBL4269458

SCHEMBL4269458

C[N]C(=O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
CES2 O00748 3/20 0.56
CES1 P23141 3/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
TDP1 Q9NUW8 3/20 0.50
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
PKM P14618 3/20 0.50
KMT2A Q03164 3/20 0.50
ATM Q13315 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
NLRP1 Q9C000 1/20 0.50
GAA P10253 1/20 0.50
NTSR1 P30989 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL5691184 0.82 ALDH1A1 (0.59) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL13536412 0.80 ALDH1A1 (0.56) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL10843654 0.78 CES2 (0.54) CES2CES1SMN1; SMN2KMT2AMEN1
SCHEMBL3822405 0.78 CES2 (0.54) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL16358251 0.78 ALDH1A1 (0.54) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL125975 0.77 CES1 (0.50) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL328994 0.76 ALDH1A1 (0.52) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL2944441 0.76 ALDH1A1 (0.52) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL9000002 0.75 CES1 (0.48) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL24394635 0.75 ALDH1A1 (0.50) ALDH1A1CES2CES1LMNASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846898-B2 Phosphinoamidite carboxylates and analogs thereof in the synthesis of oligonucleotide having reduced internucleotide charge Lieure Cornu LLC (US) 2014-09-30 US claimed
US-20120220962-A1 TRANSDERMAL AND TOPICAL ADMINISTRATION OF VITAMINS USING BASIC PERMEATION ENHANCERS TECHNOLOGY RECOVERY SYSTEMS, LLC (US) 2012-08-30 US disclosed
US-20090317453-A1 TRANSDERMAL AND TOPICAL ADMINISTRATION OF DRUGS USING BASIC PERMEATION ENHANCERS DERMATRENDS, INC. (US) 2009-12-24 US disclosed
US-20090232808-A1 MOLECULES AND CHIMERIC MOLECULES THEREOF APOLLO LIFE SCIENCES LIMITED (AU) 2009-09-17 US disclosed
US-20090197849-A1 TRANSDERMAL AND TOPICAL ADMINISTRATION OF DRUGS USING BASIC PERMEATION ENHANCERS DERMATRENDS, INC. 2009-08-06 US disclosed
US-4528379-A Preparation of substituted thiadiazolyloxyacetamides BAYER AKTIENGESELLSCHAFT (DE) 1985-07-09 US disclosed
US-4455428-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-06-19 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 (1 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-20090232808-A1 MOLECULES AND CHIMERIC MOLECULES THEREOF TNFRSF1A, NGFR, TNFRSF9 ALDH1A1 2983/4885CES2 4249/4885CES1 2200/4885

“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.