SCHEMBL4090561

SCHEMBL4090561

O=C1CCCc2cc(-c3ccc(O)cc3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 1.00
MAOA P21397 8/20 0.74
MAOB P27338 8/20 0.74
PRKCI P41743 1/20 0.74
BAZ2B Q9UIF8 1/20 0.49
PGR P06401 1/20 0.48
CYP2A6 P11509 1/20 0.47
GRM5 P41594 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PBRM1 Q86U86 1/20 0.44
TDP2 O95551 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL1030949 0.89 HSD17B1 (1.00) HSD17B1MAOAMAOBPRKCIPGR
SCHEMBL228128 0.85 MAOA (1.00) HSD17B1MAOAMAOBPRKCIBAZ2B
SCHEMBL3021186 0.85 HSD17B1 (0.74) HSD17B1MAOAMAOBPRKCIBAZ2B
SCHEMBL7584101 0.84 HSD17B1 (0.73) HSD17B1MAOAMAOBPRKCIBAZ2B
SCHEMBL7506302 0.83 HSD17B1 (0.71) HSD17B1MAOAMAOBPRKCIBAZ2B
SCHEMBL8170785 0.83 HSD17B1 (0.71) HSD17B1MAOAMAOBPRKCIBAZ2B
SCHEMBL4418225 0.83 HSD17B1 (0.71) HSD17B1MAOAMAOBPRKCIBAZ2B
SCHEMBL3825921 0.82 MAOA (0.92) HSD17B1MAOAMAOBPRKCIBAZ2B
SCHEMBL7507255 0.81 HSD17B1 (0.69) HSD17B1MAOAMAOBPRKCIBAZ2B
SCHEMBL21222886 0.81 HSD17B1 (0.68) HSD17B1MAOAMAOBPRKCIPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
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
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
US-7067524-B2 Substituted phenyl naphthalenes as estrogenic agents WYETH (US) 2006-06-27 US disclosed
CN-1738788-A Substituted phenylnaphthalenes as estrogenic agents WYETH CORP (US) 2006-02-22 CN disclosed
US-6914074-B2 Substituted phenyl naphthalenes as estrogenic agents WYETH (US) 2005-07-05 US disclosed
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents MEWSHAW RICHARD E (US) 2004-11-11 US disclosed
EP-1453782-A2 SUBSTITUTED PHENYL NAPHTHALENES AS ESTROGENIC AGENTS Wyeth (US) 2004-09-08 EP disclosed
US-20030181519-A1 Substituted phenyl naphthalenes as estrogenic agents WYETH 2003-09-25 US disclosed
WO-2003051805-A2 SUBSTITUTED PHENYL NAPHTHALENES AS ESTROGENIC AGENTS WYETH (US) 2003-06-26 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 (3 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-20030181519-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA HSD17B1 160/4885MAOA 4457/4885MAOB 4340/4885
US-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 HSD17B1 4/4885MAOA 470/4885MAOB 494/4885
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA HSD17B1 160/4885MAOA 4457/4885MAOB 4340/4885

“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.