SCHEMBL20021736

SCHEMBL20021736

CCn1c(C)nnc1-c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TP53 P04637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
TSHR P16473 6/20 0.49
PKM P14618 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 3/20 0.48
USP2 O75604 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL1544448 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL14076990 0.77 RAB9A (0.54) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL22018553 0.72 USP2 (0.79) ALDH1A1HPGDHSD17B10TP53MEN1
SCHEMBL1545186 0.71 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL14077056 0.71 TSHR (0.59) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL8625712 0.70 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL4208837 0.70 ALDH1A1 (0.78) ALDH1A1HPGDHSD17B10TP53MEN1
SCHEMBL1544366 0.67 RAB9A (0.51) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL20021735 0.66 KMT2A (0.52) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL8628320 0.65 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing VANDERBILT UNIVERSITY (US) 2024-01-02 US disclosed
US-20180092359-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING VANDERBILT UNIVERSITY 2018-04-05 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-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing OR51E2, OR10J3, ORC3 ALDH1A1 2481/4885KDM4E 3247/4885HPGD 4619/4885
US-20180092359-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING OR51E2, OR10J3, ORC3 ALDH1A1 2668/4885KDM4E 3295/4885HPGD 4650/4885

“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.