SCHEMBL4886698

SCHEMBL4886698

CCN(CC)C(C)Oc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
SLC6A4 P31645 2/20 0.37
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 1/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A3 P47895 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL9706129 0.90 ALDH1A3 (0.39) MAPK1MEN1KMT2AALDH1A3
SCHEMBL3327499 0.82 ALDH1A3 (0.34) MAPK1MEN1KMT2AALDH1A3
SCHEMBL2246179 0.81 ALDH1A3 (0.33) MAPK1ALDH1A3
SCHEMBL10429856 0.80 ADRA2A (0.43) SLC6A4KDM4ELMNAGAAMAOA
Hydrochloric Acid SCHEMBL9790311 0.79 TDP1 (0.44) TDP1MAPK1GAAMAPTL3MBTL1
Hydrochloric Acid SCHEMBL15412521 0.78 ADRA2A (0.42) SLC6A4KDM4ETDP1MAPK1LMNA
SCHEMBL11625237 0.78 ALDH1A3 (0.61) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL6788802 0.78 LDHA (0.44) LDHASLC6A4TDP1MAPK1LMNA
SCHEMBL2224162 0.77 PGR (0.30)
SCHEMBL12130710 0.77 HRH3 (0.44) SLC6A4GAAMAOAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381718-B2 Method for preparing oestrogen derivatives AVENTIS PHARMA S.A. (FR) 2008-06-03 US disclosed
US-20040171595-A1 Method for preparing oestrogen derivatives AVENTIS PHARMA S.A. (FR) 2004-09-02 US disclosed
US-4623660-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-18 US disclosed
US-4383998-A Furo-(3,4-c)-pyridine derivatives and their pharmaceutical use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1983-05-17 US disclosed
EP-0002097-B1 TRIPHENYLALKENE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-05 EP disclosed
EP-0002097-A1 Triphenylalkene derivatives, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-05-30 EP 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-20040171595-A1 Method for preparing oestrogen derivatives CYP19A1, HSD17B11, NR5A1 LDHA 2561/4885SLC6A4 4353/4885KDM4E 2946/4885

“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.