SCHEMBL733450

SCHEMBL733450

CCOC(=O)CC1(O)C(=O)Nc2cc(Cl)cc(Cl)c21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
ALOX12 P18054 1/20 0.58
ADCY8 P40145 1/20 0.40
GHSR Q92847 4/20 0.40
IDO1 P14902 2/20 0.39
MAPK1 P28482 1/20 0.39
ABCB1 P08183 1/20 0.36
HTR6 P50406 1/20 0.36
CBX7 O95931 2/20 0.36
CDYL Q9Y232 2/20 0.36
CDYL2 Q8N8U2 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36

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
SCHEMBL734639 0.78 IDO1 (0.47) ALDH1A1MAPTALOX12ADCY8GHSR
SCHEMBL10250086 0.69 KMT2A (0.40) ALDH1A1MAPTALOX12
SCHEMBL699106 0.68 IDO1 (0.48) ALDH1A1MAPTIDO1CBX7CDYL
SCHEMBL8361234 0.68 AKR1B1 (0.38) MAPK1ABCB1
SCHEMBL8361432 0.63 KMT2A (0.33) MAPT
SCHEMBL128252 0.63 HTR6 (0.51) ALDH1A1TP53MAPTGHSRHTR6
SCHEMBL10249878 0.62 KMT2A (0.41) ALDH1A1MAPK1
SCHEMBL9704171 0.62 MAPK1 (0.40) MAPK1
SCHEMBL10249887 0.62 KMT2A (0.39) ALDH1A1MAPT
SCHEMBL7607750 0.61 SMN1; SMN2 (0.48) ALDH1A1MAPTADCY8IDO1

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-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 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-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 ALDH1A1 3171/4885TP53 3011/4885MAPT 3593/4885

“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.