SCHEMBL18970461

SCHEMBL18970461

OC(O)=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
CA1 P00915 2/20 0.56
MGLL Q99685 2/20 0.56
HDAC2 Q92769 2/20 0.50
MMP3 P08254 1/20 0.48
BCL2L1 Q07817 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX5 P09917 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
SCHEMBL131223 0.83 MAOB (0.53) CA1HDAC2ALDH1A1HDAC1HDAC6
SCHEMBL76159 0.80 CA1 (0.62) TP53CA1MGLLHDAC2MMP3
SCHEMBL76158 0.80 CA1 (0.62) TP53CA1MGLLHDAC2MMP3
SCHEMBL9171323 0.80 CA1 (0.62) TP53CA1MGLLHDAC2MMP3
SCHEMBL657316 0.80 TP53 (0.57) TP53CA1MGLLHDAC2MMP3
SCHEMBL26604330 0.80 TP53 (0.57) TP53CA1MGLLHDAC2MMP3
SCHEMBL27518435 0.79 CA1 (0.56) TP53CA1MGLLHDAC2MMP3
SCHEMBL338880 0.78 CYP19A1 (0.61) TP53CA1MGLLALDH1A1MEN1
SCHEMBL11548251 0.78 CA1 (0.60) TP53CA1MGLLHDAC2ALDH1A1
SCHEMBL11548255 0.78 CA1 (0.60) TP53CA1MGLLHDAC2ALDH1A1

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-10377697-B2 Process and intermediates NOVARTIS AG (CH) 2019-08-13 US disclosed
WO-2017098430-A1 NEW PROCESS AND INTERMEDIATES NOVARTIS AG (CH) 2017-06-15 WO 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-10377697-B2 Process and intermediates MME, ACE, DNPEP TP53 3628/4885CA1 3396/4885MGLL 1539/4885

“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.