SCHEMBL14738587

SCHEMBL14738587

Cc1c[n+]([O-])ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOTUM Q6P988 1/20 0.38
MYC P01106 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 1/20 0.34
CSNK2A1 P68400 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
NR4A1 P22736 1/20 0.34
RECQL P46063 1/20 0.34
ESR2 Q92731 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
RXRB P28702 2/20 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
SCHEMBL3659496 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL4881052 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL1015022 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL1015021 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL31184835 0.79 MAPT (0.48) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31184904 0.79 MAPT (0.48) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5743569 0.77 TSHR (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL21979547 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL2021797 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL31132874 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 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 (2 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY MEN1 666/4885KMT2A 1768/4885ALDH1A1 1152/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY MEN1 666/4885KMT2A 1768/4885ALDH1A1 1152/4885

“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.