SCHEMBL4098160

SCHEMBL4098160

CCc1cc(-c2ccc(C(=O)CC(C)(C)C(=O)O)cc2)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.44
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
DHFR P00374 1/20 0.42
LTB4R Q15722 1/20 0.42
HSD17B1 P14061 3/20 0.41
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 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
SCHEMBL4085995 0.81 SMN1; SMN2 (0.54) SRD5A2DHFRMEN1KMT2APDE4B
SCHEMBL4086023 0.79 HSD17B1 (0.64) SRD5A2HSD17B1MEN1KMT2AL3MBTL1
SCHEMBL3452932 0.79 CA12 (0.59) TSHRMEN1KMT2APDE4BPDE4D
SCHEMBL6030795 0.78 CHEK1 (0.48) MEN1KMT2ASMN1; SMN2
SCHEMBL4095528 0.77 ALDH1A1 (0.43) SRD5A2DHFRLTB4RHSD17B1HTT
SCHEMBL12325012 0.76 HSD17B1 (0.59) HSD17B1HTTTSHRMAPT
SCHEMBL4091874 0.75 HSD17B1 (0.78) HSD17B1HTTTSHRMAPTL3MBTL1
SCHEMBL4102741 0.74 HSD17B1 (0.65) HSD17B1TSHRL3MBTL1
SCHEMBL4085535 0.73 ABCG2 (0.47) SRD5A2HSD17B1MEN1KMT2ACA1
SCHEMBL4232510 0.73 KCNH2 (0.48) HTTTSHRMEN1KMT2AMAPT

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 SRD5A2 14/4885RARA 2045/4885RARB 1965/4885

“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.