SCHEMBL5028772

SCHEMBL5028772

Oc1ccc2c(c1)CCc1cc3cc(O)ccc3cc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.46
ESR2 Q92731 6/20 0.46
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
PRKCI P41743 1/20 0.46
HSP90AA1 P07900 1/20 0.45
CYP1A2 P05177 1/20 0.43
MIF P14174 3/20 0.41
CYP26A1 O43174 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AKR1B1 P15121 1/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
PBRM1 Q86U86 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL5030308 0.89 HSD17B1 (0.50) ESR1ESR2MAOBMAOACYP1A2
SCHEMBL5269525 0.89 HSD17B1 (0.50) ESR1ESR2MAOBMAOACYP1A2
SCHEMBL784291 0.83 MAOB (0.59) ESR1ESR2MAOBMAOAPRKCI
SCHEMBL21453381 0.81 ESR1 (0.44) ESR1ESR2MAOBMAOAHSP90AA1
SCHEMBL5319753 0.77 HSD17B1 (0.50) ESR1ESR2MAOBMAOACYP1A2
SCHEMBL14007352 0.77 CYP1A2 (0.48) ESR1ESR2MAOACYP1A2CYP3A4
SCHEMBL14007486 0.75 CYP1A2 (0.50) ESR1ESR2MAOBMAOAPRKCI
SCHEMBL25940944 0.75 CYP1A2 (0.47) ESR1ESR2MAOACYP1A2CYP3A4
SCHEMBL3198655 0.74 ALDH1A1 (0.41) ESR1ESR2MAOBMAOAHSP90AA1
SCHEMBL8460792 0.74 SRD5A1 (0.56) MAOBMAOAPRKCIHSP90AA1MIF

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
US-7335659-B2 Substituted 10-aryl-11H-benzo[b]fluorenes and 7-aryl-5, 6-dihydro-benzo[a]anthracenes for selective effects on estrogen receptors N.V. ORGANON (NL) 2008-02-26 US disclosed
EP-1272471-B1 NON-STEROIDAL, TETRACYCLIC COMPOUNDS FOR ESTROGEN-RELATED TREATMENTS ORGANON NV (NL) 2007-10-03 EP disclosed
EP-1478613-B1 SUBSTITUTED 10-ARYL-11H-BENZO¬B|FLUORENES FOR SELECTIVE EFFECTS ON ESTROGEN RECEPTORS AKZO NOBEL NV (NL) 2006-05-24 EP disclosed
US-20030144313-A1 Non-steroidal, tetracylic compounds for estrogen-related treatments N.V. ORGANON (NL) 2003-07-31 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 (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-20030144313-A1 Non-steroidal, tetracylic compounds for estrogen-related treatments ESRRA, ESRRB, ESRRG ESR1 6/4885ESR2 4/4885MAOB 3356/4885

“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.