SCHEMBL16865353

SCHEMBL16865353

CCOC(=O)C[C@@H](O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
MAOB P27338 2/20 0.44
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.42
PPARG P37231 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
CYP1A2 P05177 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL16859612 1.00 NOS3 (0.45) NOS3NOS1NOS2MAOBPTGS2
SCHEMBL16865329 1.00 NOS3 (0.45) NOS3NOS1NOS2MAOBPTGS2
SCHEMBL16865348 0.88 CYP2C9 (0.45) MAOBPTGS2KDM4EMAPTPPARG
SCHEMBL16865352 0.88 CYP2C9 (0.45) MAOBPTGS2KDM4EMAPTPPARG
SCHEMBL16865346 0.85 MEN1 (0.49) KDM4EMAPTCYP1A2MEN1ALDH1A1
SCHEMBL16865347 0.85 MEN1 (0.49) KDM4EMAPTCYP1A2MEN1ALDH1A1
SCHEMBL16865355 0.81 SPHK1 (0.50) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL16865350 0.81 SPHK1 (0.50) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL16859620 0.80 CYP1A2 (0.47) MAOBMAPTCYP1A2MEN1ALDH1A1
SCHEMBL16859619 0.80 CYP1A2 (0.47) MAOBMAPTCYP1A2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 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-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN NOS3 210/4885NOS1 264/4885NOS2 283/4885

“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.