SCHEMBL23259488

SCHEMBL23259488

C=C(C)CCc1ccc(N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHKA P35790 4/20 0.44
CALM1 P0DP23 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC1 Q13547 2/20 0.39

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
SCHEMBL8136098 0.80 ALDH1A1 (0.59) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL24829466 0.79 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL14144568 0.79 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL6310153 0.78 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL1469760 0.78 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL4405018 0.78 ALDH1A1 (0.70) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL28008810 0.78 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL5702986 0.77 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL10909669 0.77 ESR1 (0.56) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL9577014 0.77 CYP1A2 (0.48) ALDH1A1TDP1ALOX15HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240052109-A1 POLYSILOXANE VINYLIC MONOMERS AND USES THEREOF ALCON INC. (CH) 2024-02-15 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 ALDH1A1 144/4885TSHR 4703/4885MAPK1 1199/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 ALDH1A1 89/4885TSHR 4144/4885MAPK1 378/4885

“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.