SCHEMBL4091513

SCHEMBL4091513

Cc1cc(F)cc(C)c1C(=O)CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AGBL2 Q5U5Z8 1/20 0.42
NR4A2 P43354 1/20 0.39
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
USP5 P45974 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL8215067 0.84 KMT2A (0.55) KMT2AMEN1HTTNPSR1NR4A2
P-Xylene SCHEMBL8112572 0.79 KMT2A (0.61) KMT2AMEN1HTTNPSR1NR4A2
SCHEMBL9512327 0.78 HTT (0.64) KMT2AMEN1HTTALDH1A1CYP2C19
SCHEMBL4091424 0.77 HTT (0.62) KMT2AMEN1HTTNR4A2FFAR1
SCHEMBL9352415 0.76 KMT2A (0.50) KMT2AMEN1HTTNPSR1NR4A2
SCHEMBL9356347 0.76 NR4A2 (0.52) KMT2AMEN1HTTNPSR1NR4A2
SCHEMBL421459 0.74 CYP3A4 (0.50) KMT2AMEN1AGBL2ALDH1A1L3MBTL1
SCHEMBL22097301 0.74 KMT2A (0.55) KMT2AMEN1HTTNR4A2FFAR1
SCHEMBL8213200 0.74 CYP3A4 (0.61) KMT2AMEN1NPSR1ALDH1A1CYP2C19
SCHEMBL9336896 0.74 KMT2A (0.49) KMT2AMEN1HTTNPSR1NR4A2

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-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 KMT2A 2145/4885MEN1 1122/4885HTT 1137/4885

“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.