SCHEMBL10185688

SCHEMBL10185688

COCCCOc1cc(CNC2CC2)cc(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
CARM1 Q86X55 2/20 0.43
PRMT6 Q96LA8 2/20 0.43
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
RIPK2 O43353 1/20 0.38
CNR1 P21554 4/20 0.37
CNR2 P34972 3/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CHEK1 O14757 1/20 0.36
MCHR1 Q99705 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL89233 0.85 ALDH1A1 (0.66) ALDH1A1TSHRL3MBTL1CNR1CNR2
SCHEMBL89305 0.85 ALDH1A1 (0.45) ALDH1A1TSHRL3MBTL1CARM1PRMT6
SCHEMBL89319 0.84 ALDH1A1 (0.49) ALDH1A1TSHRL3MBTL1CNR1CNR2
SCHEMBL89360 0.83 ALDH1A1 (0.66) ALDH1A1TSHRL3MBTL1CNR1CNR2
SCHEMBL662852 0.82 ALDH1A1 (0.59) ALDH1A1TSHRL3MBTL1BCHEACHE
SCHEMBL8265089 0.81 ALDH1A1 (0.48) ALDH1A1TSHRL3MBTL1CARM1PRMT6
SCHEMBL8265518 0.81 CNR1 (0.55) ALDH1A1TSHRL3MBTL1CNR1CNR2
SCHEMBL10181841 0.80 ALDH1A1 (0.40) ALDH1A1TSHRCNR1CNR2KDM4E
SCHEMBL2807484 0.79 KMT2A (0.47) ALDH1A1TSHRL3MBTL1BCHEACHE
SCHEMBL89739 0.79 ALDH1A1 (0.47) ALDH1A1TSHRL3MBTL1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 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-20110263560-A1 Organic Compounds REN, ACE, OTC ALDH1A1 21/4885TSHR 2757/4885L3MBTL1 4255/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO ALDH1A1 36/4885TSHR 3249/4885L3MBTL1 4645/4885

“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.