SCHEMBL7932610

SCHEMBL7932610

CCC(O)(c1ccc(C)cc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 2/20 0.53
XBP1 P17861 1/20 0.53
POLB P06746 1/20 0.49
EBP Q15125 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
BCL2 P10415 2/20 0.47
CYP19A1 P11511 2/20 0.46
LMNA P02545 2/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
MIF P14174 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL13131547 0.92 NPSR1 (0.57) NPSR1MEN1KMT2AL3MBTL1HTT
SCHEMBL10786071 0.84 ESR1 (0.57) NPSR1MEN1KMT2AL3MBTL1HTT
SCHEMBL11625992 0.84 BCL2 (0.58) NPSR1MEN1KMT2AL3MBTL1HTT
SCHEMBL12157320 0.82 NPSR1 (0.49) NPSR1MEN1KMT2AL3MBTL1HTT
SCHEMBL12441784 0.82 MEN1 (0.57) NPSR1MEN1KMT2AL3MBTL1HTT
SCHEMBL2862945 0.81 MEN1 (0.58) NPSR1MEN1KMT2AL3MBTL1HTT
SCHEMBL8476290 0.80 ALDH1A1 (0.52) NPSR1MEN1KMT2AL3MBTL1HTT
SCHEMBL28076978 0.77 MEN1 (0.82) NPSR1MEN1KMT2AL3MBTL1HTT
SCHEMBL9196329 0.76 NPSR1 (0.53) NPSR1MEN1KMT2AL3MBTL1HTT
SCHEMBL2239969 0.75 MEN1 (0.58) NPSR1MEN1KMT2AL3MBTL1HTT

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-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
US-6194599-B1 Process for preparing biaryl compounds CATALYTICA, INC. 2001-02-27 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-20100240680-A1 Purine derivatives as a2a agonists ADORA2A, ADORA1, ADORA3 NPSR1 96/4885MEN1 3817/4885KMT2A 4032/4885

“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.