SCHEMBL13612569

SCHEMBL13612569

COc1ccc2cc(OC(=O)c3ccccc3)ccc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.77
MEN1 O00255 4/20 0.77
MAPT P10636 2/20 0.77
TDP1 Q9NUW8 2/20 0.77
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
CA12 O43570 2/20 0.60
CA9 Q16790 2/20 0.60
KDM4E B2RXH2 1/20 0.59
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
POLB P06746 1/20 0.57
CYP1A2 P05177 4/20 0.55
CYP2A6 P11509 1/20 0.55
GBA1 P04062 1/20 0.55
PDGFRB P09619 2/20 0.54
PDGFRA P16234 2/20 0.54
ALDH1A1 P00352 2/20 0.54

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
SCHEMBL3911876 0.97 KMT2A (0.78) KMT2AMEN1MAPTTDP1CASP3
SCHEMBL16236876 0.97 KMT2A (0.84) KMT2AMEN1MAPTTDP1CASP3
SCHEMBL14882783 0.92 KMT2A (0.71) KMT2AMEN1MAPTTDP1CASP3
SCHEMBL411502 0.88 ESR1 (0.69) KMT2AMEN1MAPTTDP1CASP3
SCHEMBL18058690 0.87 KMT2A (0.93) KMT2AMEN1MAPTTDP1CASP3
SCHEMBL30523105 0.87 KMT2A (1.00) KMT2AMEN1MAPTTDP1CASP3
SCHEMBL12608605 0.87 GBA1 (0.68) KMT2AMEN1MAPTTDP1CASP3
SCHEMBL1639878 0.87 KMT2A (1.00) KMT2AMEN1MAPTTDP1CASP3
Ammonia Solution, Strong SCHEMBL11705203 0.86 KMT2A (0.96) KMT2AMEN1MAPTTDP1CASP3
SCHEMBL1546266 0.85 SMN1; SMN2 (0.68) KMT2AMEN1MAPTTDP1CYP1A2

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-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US disclosed
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US disclosed
WO-2007146136-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-12-21 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-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN1, KCNN3, KCNN2 KMT2A 2607/4885MEN1 1259/4885MAPT 1089/4885

“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.