SCHEMBL2727720

SCHEMBL2727720

O=Cc1ccc(OC(=O)c2ccccc2)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.57
MAPT P10636 7/20 0.57
MEN1 O00255 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
TRIM24 O15164 1/20 0.54
TYR P14679 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
CA2 P00918 1/20 0.49
PARP10 Q53GL7 1/20 0.49
NSD2 O96028 1/20 0.49
RAB9A P51151 1/20 0.48
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL7030208 0.88 KMT2A (0.57) KMT2AMAPTMEN1TDP1CA2
SCHEMBL11118181 0.87 KMT2A (0.60) KMT2AMAPTMEN1TDP1CA2
SCHEMBL9743282 0.82 KMT2A (0.66) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL26932992 0.80 KMT2A (0.55) KMT2AMAPTMEN1TDP1CA2
SCHEMBL23628420 0.79 KMT2A (0.54) KMT2AMAPTTRIM24TYRTRIM33
SCHEMBL13869340 0.79 KMT2A (0.54) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL21499751 0.78 ERN1 (0.54) KMT2AMAPTMEN1TDP1TRIM24
SCHEMBL2298714 0.78 KMT2A (0.60) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL12732134 0.78 LMNA (0.62) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL27725555 0.78 KMT2A (0.60) KMT2AMAPTMEN1TDP1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2625190-B1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION UNIV JUSTUS LIEBIG GIESSEN (DE) 2021-07-14 EP disclosed
US-9382288-B2 Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2016-07-05 US disclosed
US-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2013-10-10 US disclosed
EP-2625190-A2 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION Justus-Liebig- Universitat Giessen (DE) 2013-08-14 EP disclosed
WO-2012051988-A2 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2012-04-26 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-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION HSD17B7, CYP21A2, CYP17A1 KMT2A 2888/4885MAPT 4204/4885MEN1 563/4885

“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.