SCHEMBL17050839

SCHEMBL17050839

O=Cc1ccc(Oc2ccc(O)cc2Cl)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.48
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ACACB O00763 6/20 0.44
POLB P06746 2/20 0.43
ACACA Q13085 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
GRM8 O00222 1/20 0.40
GRM7 Q14831 1/20 0.40
GRM4 Q14833 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FDPS P14324 1/20 0.37
ALDH5A1 P51649 1/20 0.37

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
SCHEMBL3691486 0.82 ACACB (0.44) TTRALDH1A1L3MBTL1KDM4EACACB
SCHEMBL17050831 0.81 KDM4E (0.55) ALDH1A1L3MBTL1KDM4EACACBPOLB
SCHEMBL17050837 0.80 ACACB (0.62) TTRALDH1A1L3MBTL1KDM4EACACB
SCHEMBL3692188 0.80 AR (0.45) TTRALDH1A1L3MBTL1KDM4EACACB
SCHEMBL21902104 0.80 KMT2A (0.56) ALDH1A1L3MBTL1KDM4EPOLBCYP2C9
SCHEMBL17050451 0.78 L3MBTL1 (0.41) TTRALDH1A1L3MBTL1KDM4EACACB
SCHEMBL13582687 0.76 KDM4E (0.47) TTRALDH1A1KDM4EACACBPOLB
SCHEMBL13582691 0.76 KDM4E (0.47) TTRALDH1A1KDM4EACACBPOLB
SCHEMBL3689296 0.76 NNMT (0.47) TTRACACBACACACYP3A4CYP2C9
SCHEMBL17052413 0.76 ACACB (0.55) ACACBACACACYP3A4CYP2C9

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-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 TTR 4837/4885ALDH1A1 408/4885L3MBTL1 3849/4885

“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.