SCHEMBL14070831

SCHEMBL14070831

COc1cc2c(cc1F)CCC1C2CC[C@]2(C)C(C)CCC12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.60
CYP19A1 P11511 3/20 0.60
LMNA P02545 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP1A1 P04798 2/20 0.60
CYP1B1 Q16678 2/20 0.60
MEN1 O00255 2/20 0.60
GAA P10253 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
CYP2C19 P33261 1/20 0.60
THPO P40225 1/20 0.60
GMNN O75496 1/20 0.60
SHBG P04278 1/20 0.60
MTOR P42345 1/20 0.60
BLM P54132 1/20 0.60

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
SCHEMBL2758348 0.95 CYP1A1 (0.60) HSD17B10CYP19A1LMNACYP1A2CYP3A4
SCHEMBL14070834 0.88 CYP19A1 (0.51) HSD17B10CYP19A1LMNACYP1A2CYP3A4
SCHEMBL4827192 0.86 HSD17B10 (0.60) HSD17B10CYP19A1LMNACYP1A2CYP3A4
SCHEMBL14070624 0.86 HSD17B10 (0.60) HSD17B10CYP19A1LMNACYP1A2CYP3A4
SCHEMBL14311225 0.86 CYP1A2 (0.80) HSD17B10CYP19A1LMNACYP1A2CYP3A4
SCHEMBL3430113 0.86 CYP1A2 (0.80) HSD17B10CYP19A1LMNACYP1A2CYP3A4
SCHEMBL14208972 0.85 CYP19A1 (0.58) HSD17B10CYP19A1LMNACYP1A2CYP3A4
SCHEMBL14070775 0.84 HSD17B10 (0.57) HSD17B10CYP19A1LMNACYP1A2CYP3A4
SCHEMBL2758333 0.83 CYP1A1 (0.59) HSD17B10CYP19A1LMNACYP1A2CYP3A4
SCHEMBL14070702 0.82 HSD17B10 (0.55) HSD17B10CYP19A1LMNACYP1A2CYP3A4

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 HSD17B10 209/4885CYP19A1 10/4885LMNA 891/4885
US-20070135400-A1 Estradiol derivatives ESR2, NR5A1, ESRRB HSD17B10 133/4885CYP19A1 4/4885LMNA 3670/4885
US-20070010505-A1 Methods of treating disease states using antiangiogenic agents VEGFA, PGF, TEK HSD17B10 1968/4885CYP19A1 562/4885LMNA 2822/4885

“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.