SCHEMBL20280306

SCHEMBL20280306

CCC(C)Nc1ccc(CN)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
CYP3A4 P08684 2/20 0.72
ALOX15 P16050 2/20 0.72
TSHR P16473 2/20 0.72
HIF1A Q16665 2/20 0.72
HSD17B10 Q99714 2/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
TP53 P04637 1/20 0.72
HSP90AA1 P07900 1/20 0.72
THRB P10828 1/20 0.72
CASP1 P29466 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
HRH3 Q9Y5N1 1/20 0.39
PSIP1 O75475 1/20 0.38
LOXL2 Q9Y4K0 4/20 0.38
MAPK1 P28482 2/20 0.38
ALOX12 P18054 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL19471306 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL49805 0.85 ALDH1A1 (1.00) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL17845262 0.83 ALDH1A1 (0.78) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL48404 0.83 ALDH1A1 (0.78) ALDH1A1CYP3A4ALOX15TSHRHIF1A
Ammonia Solution, Strong SCHEMBL10393256 0.82 ALDH1A1 (0.75) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL22133453 0.81 TDP1 (0.50) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL24684892 0.80 ALDH1A1 (0.72) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL27905916 0.79 CYP3A4 (0.64) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL249357 0.79 L3MBTL1 (0.78) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL11482583 0.79 ALDH1A1 (0.86) ALDH1A1CYP3A4ALOX15TSHRHIF1A

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-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-11420934-B2 PPAR agonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2022-08-23 US disclosed
US-20200190019-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-06-18 US disclosed
US-10550071-B2 PPAR agonists SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-02-04 US disclosed
US-20180170857-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-06-21 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 (4 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-11420934-B2 PPAR agonists PPARG, PPARD, PPARA ALDH1A1 1664/4885CYP3A4 2641/4885ALOX15 915/4885
US-20180170857-A1 PPAR AGONISTS PPARG, PPARD, PPARA ALDH1A1 1664/4885CYP3A4 2641/4885ALOX15 915/4885
US-20200190019-A1 PPAR AGONISTS PPARG, PPARD, PPARA ALDH1A1 1664/4885CYP3A4 2641/4885ALOX15 915/4885
US-10550071-B2 PPAR agonists PPARG, PPARD, PPARA ALDH1A1 1664/4885CYP3A4 2641/4885ALOX15 915/4885

“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.