SCHEMBL15315503

SCHEMBL15315503

CCC(C)(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
FABP5 Q01469 3/20 0.47
FABP7 O15540 2/20 0.47
EPHX2 P34913 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CASP3 P42574 1/20 0.40
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL16591089 0.89 KMT2A (0.41) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL21187928 0.88 KMT2A (0.46) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29456842 0.86 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL10110895 0.86 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL12704692 0.85 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL18132620 0.84 HTR2A (0.43)
SCHEMBL8453047 0.84 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL23918256 0.83 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL12128707 0.83 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL7809928 0.83 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210145971-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF Fusion Pharmaceuticals Inc. (CA) 2021-05-20 US disclosed
US-9411058-B2 Polymer composite based thermal neutron detectors UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-08-09 US disclosed
US-20150247938-A1 POLYMER COMPOSITE BASED THERMAL NEUTRON DETECTORS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2015-09-03 US disclosed
US-9086625-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-21 US disclosed
US-8796631-B2 Polymer composite based thermal neutron detectors UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-08-05 US disclosed
US-8796631-B2 Polymer composite based thermal neutron detectors UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-08-05 US disclosed
US-20140065545-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-03-06 US disclosed
US-20130270442-A1 POLYMER COMPOSITE BASED THERMAL NEUTRON DETECTORS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2013-10-17 US disclosed
US-20130270442-A1 POLYMER COMPOSITE BASED THERMAL NEUTRON DETECTORS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2013-10-17 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-20210145971-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF HSP90AB1, HSP90B1, HSP90AA1 KMT2A 4146/4885FABP5 1383/4885FABP7 344/4885

“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.