SCHEMBL5266396

SCHEMBL5266396

COc1ccc2c(c1)C(C)CC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
ACHE P22303 1/20 0.53
CYP19A1 P11511 9/20 0.49
MAOB P27338 6/20 0.49
CYP3A4 P08684 1/20 0.49
ABCB1 P08183 1/20 0.44
AR P10275 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 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
SCHEMBL13891905 0.86 ACHE (0.57) KDM4EALDH1A1GAALMNAACHE
SCHEMBL14169163 0.86 ACHE (0.57) KDM4EALDH1A1GAALMNAACHE
SCHEMBL6787435 0.83 KDM4E (0.49) KDM4EALDH1A1GAALMNAACHE
SCHEMBL30375827 0.81 GAA (0.52) KDM4EALDH1A1GAALMNAACHE
SCHEMBL22319275 0.81 GAA (0.52) KDM4EALDH1A1GAALMNAACHE
SCHEMBL22319274 0.81 GAA (0.52) KDM4EALDH1A1GAALMNAACHE
SCHEMBL1893563 0.81 GAA (0.52) KDM4EALDH1A1GAALMNAACHE
SCHEMBL10163625 0.80 LMNA (0.51) KDM4EALDH1A1GAALMNAACHE
SCHEMBL10132576 0.79 GAA (0.53) KDM4EALDH1A1GAALMNACYP19A1
SCHEMBL10069796 0.79 MAP2K3 (0.59) KDM4EALDH1A1GAALMNACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922832-B1 GLUTAMINASE INHIBITORS AND METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-10-09 EP disclosed
EP-1272471-B1 NON-STEROIDAL, TETRACYCLIC COMPOUNDS FOR ESTROGEN-RELATED TREATMENTS ORGANON NV (NL) 2007-10-03 EP disclosed
US-6686371-B2 HAVING AN 11H-BENZO(B)FLUORENE, AN 11H-INDENO-(1,2-B) QUINOLINE, A BENZ(A)ANTHRACENE OR ANALOGOUS SKELETON AND AN AFFINITY FOR THE ESTROGEN RECEPTOR; CONTRACEPTIVES; MENOPAUSAL COMPLAINTS, OSTEOPOROSIS; ANTITUMOR AGENTS AKZO NOBEL N.V. (NL) 2004-02-03 US disclosed
EP-1339662-A1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III KARO BIO AB (SE) 2003-09-03 EP disclosed
US-20030144313-A1 Non-steroidal, tetracylic compounds for estrogen-related treatments N.V. ORGANON (NL) 2003-07-31 US disclosed
EP-1272471-A1 NON-STEROIDAL, TETRACYCLIC COMPOUNDS FOR ESTROGEN-RELATED TREATMENTS Akzo Nobel N.V. (NL) 2003-01-08 EP disclosed
WO-2002046134-A1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III KARO BIO AB (SE) 2002-06-13 WO disclosed
WO-2001072713-A1 NON-STEROIDAL, TETRACYCLIC COMPOUNDS FOR ESTROGEN-RELATED TREATMENTS AKZO NOBEL N.V. (NL) 2001-10-04 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-20030144313-A1 Non-steroidal, tetracylic compounds for estrogen-related treatments ESRRA, ESRRB, ESRRG KDM4E 471/4885ALDH1A1 1931/4885GAA 3600/4885

“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.