SCHEMBL4080393

SCHEMBL4080393

[2H]c1c2oc3c([2H])c(C)c(C)cc3c(-c3ccccc3C(=O)O)c-2cc(C)/c1=N\CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ POLB P06746 4/20 0.41
▸ FTO Q9C0B1 2/20 0.41
▸ KMT2A Q03164 5/20 0.39
▸ BLM P54132 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ THRB P10828 3/20 0.39
▸ USP2 O75604 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ BRCA1 P38398 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ MYC P01106 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.34

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
SCHEMBL1095526 0.89 FTO (0.37) KDM4EPOLBFTOKMT2ABLM
SCHEMBL4086396 0.86 — —
SCHEMBL12763959 0.86 FTO (0.48) KDM4EPOLBFTOKMT2ABLM
SCHEMBL4080387 0.86 FTO (0.48) KDM4EPOLBFTOKMT2ABLM
SCHEMBL4090676 0.80 HDAC6 (0.33) HSP90AA1
SCHEMBL9915064 0.79 FTO (0.43) KDM4EPOLBFTOKMT2ABLM
SCHEMBL3626595 0.79 FTO (0.43) KDM4EPOLBFTOKMT2ABLM
SCHEMBL1095520 0.79 FTO (0.43) KDM4EPOLBFTOKMT2ABLM
Hydrochloric Acid SCHEMBL12492233 0.78 FTO (0.42) KDM4EPOLBFTOKMT2ABLM
Hydrochloric Acid SCHEMBL9638604 0.78 FTO (0.42) KDM4EPOLBFTOKMT2ABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107830-A1 REAGENTS FOR BIOMOLECULAR LABELING, DETECTION AND QUANTIFICATION EMPLOYING RAMAN SPECTROSCOPY PURDUE RESEARCH FOUNDATION 2012-05-03 — — 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-20120107830-A1 REAGENTS FOR BIOMOLECULAR LABELING, DETECTION AND QUANTIFICATION EMPLOYING RAMAN SPECTROSCOPY SRMS, UQCRB, UQCRC1 KDM4E 3913/4885POLB 648/4885FTO 3207/4885

“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.

Send feedback