SCHEMBL14070834

SCHEMBL14070834

CCOc1cc2c(cc1F)CCC1C2CC[C@]2(C)C(C)CCC12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A1 P04798 2/20 0.49
CYP1B1 Q16678 2/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
GMNN O75496 1/20 0.49
SHBG P04278 1/20 0.49
MTOR P42345 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL14070831 0.88 HSD17B10 (0.60) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
SCHEMBL4086372 0.87 CYP1A2 (0.62) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
SCHEMBL14070626 0.87 STS (0.50) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
SCHEMBL14070763 0.85 CYP1A2 (0.47) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
SCHEMBL2758348 0.84 CYP1A1 (0.60) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
SCHEMBL2610038 0.83 CA2 (0.50) CYP1A2CYP3A4HSD17B10MEN1LMNA
SCHEMBL14070737 0.82 STS (0.72) STS
SCHEMBL14070703 0.82 STS (0.46) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
SCHEMBL14208972 0.82 CYP19A1 (0.58) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
SCHEMBL14070824 0.82 STS (0.56) CYP19A1STSESR1

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
US-20080234243-A1 2-methoxyestradiol or 2-methoxyestradiol derivatives; Alzheimer's disease or related neural diseases ENTREMED, INC. 2008-09-25 US disclosed
US-20080234243-A1 2-methoxyestradiol or 2-methoxyestradiol derivatives; Alzheimer's disease or related neural diseases ENTREMED, INC. 2008-09-25 US disclosed
US-7371741-B2 Estradiol derivatives and pharmaceutical compositions using same ENTREMED, INC. (US) 2008-05-13 US disclosed
US-7371741-B2 Estradiol derivatives and pharmaceutical compositions using same ENTREMED, INC. (US) 2008-05-13 US disclosed
US-20070135400-A1 Estradiol derivatives ENTREMED, INC. 2007-06-14 US disclosed
US-20070135400-A1 Estradiol derivatives ENTREMED, INC. 2007-06-14 US disclosed
US-20070010505-A1 Methods of treating disease states using antiangiogenic agents ENTREMED, INC. 2007-01-11 US disclosed
US-20070010505-A1 Methods of treating disease states using antiangiogenic agents ENTREMED, INC. 2007-01-11 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 (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-20080234243-A1 2-methoxyestradiol or 2-methoxyestradiol derivatives; Alzheimer's disease or related neural diseases PSEN2, APP, BACE2 CYP19A1 10/4885CYP1A2 585/4885CYP3A4 3417/4885
US-20070135400-A1 Estradiol derivatives ESR2, NR5A1, ESRRB CYP19A1 4/4885CYP1A2 218/4885CYP3A4 443/4885
US-20070010505-A1 Methods of treating disease states using antiangiogenic agents VEGFA, PGF, TEK CYP19A1 562/4885CYP1A2 2008/4885CYP3A4 3800/4885

“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.