SCHEMBL4099556

SCHEMBL4099556

CCc1cc(-c2ccc(OC)cc2)ccc1C(=O)CCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
ERCC5 P28715 2/20 0.49
FEN1 P39748 2/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PDE4B Q07343 1/20 0.49
KDM5B Q9UGL1 1/20 0.47
HSD17B1 P14061 1/20 0.46
POLB P06746 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL4085580 0.88 ERCC5 (0.48) HTTERCC5FEN1ALDH1A1HPGD
SCHEMBL4095554 0.81 HSD17B1 (0.69) ERCC5FEN1ALDH1A1HPGDHSD17B1
SCHEMBL4089722 0.77 HTT (0.59) HTTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL7864057 0.77 PDE4B (0.73) HTTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL7639642 0.76 CYP2C19 (0.55) HTTALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL4085995 0.75 SMN1; SMN2 (0.54) ALDH1A1HPGDCYP1A2CYP2C19HSD17B10
SCHEMBL8475479 0.75 HTT (0.72) HTTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL1374262 0.75 HTT (1.00) HTTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL13699901 0.73 ABL1 (0.48) HPGDKDM4ELMNASMN1; SMN2MAPT
SCHEMBL28220170 0.72 NPC1 (0.49) HTTALDH1A1HPGDHSD17B10LMNA

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 HTT 1137/4885ERCC5 4024/4885FEN1 2825/4885

“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.