SCHEMBL4827192

SCHEMBL4827192

COc1cc2c(cc1N)CC[C@@H]1[C@@H]2CC[C@]2(C)C(C)CC[C@@H]12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 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
CYP19A1 P11511 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
SCHEMBL14070624 1.00 HSD17B10 (0.60) HSD17B10LMNACYP1A2CYP3A4CYP1A1
SCHEMBL14070626 0.88 STS (0.50) HSD17B10LMNACYP1A2CYP3A4CYP1A1
SCHEMBL3430113 0.86 CYP1A2 (0.80) HSD17B10LMNACYP1A2CYP3A4CYP1A1
SCHEMBL14311225 0.86 CYP1A2 (0.80) HSD17B10LMNACYP1A2CYP3A4CYP1A1
SCHEMBL14070831 0.86 HSD17B10 (0.60) HSD17B10LMNACYP1A2CYP3A4CYP1A1
SCHEMBL14208960 0.85 CYP19A1 (0.61) HSD17B10LMNACYP1A2CYP3A4CYP1A1
SCHEMBL19922067 0.84 STS (0.61) HSD17B10LMNACYP1A2CYP3A4CYP1A1
SCHEMBL2758348 0.84 CYP1A1 (0.60) HSD17B10LMNACYP1A2CYP3A4CYP1A1
SCHEMBL2610030 0.84 CA2 (0.60) HSD17B10LMNACYP1A2CYP3A4CYP1A1
SCHEMBL14070775 0.84 HSD17B10 (0.57) HSD17B10LMNACYP1A2CYP3A4CYP1A1

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-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-20070010505-A1 Methods of treating disease states using antiangiogenic agents ENTREMED, INC. 2007-01-11 US disclosed
EP-1633367-A2 ANTIANGIOGENIC AGENTS EntreMed, Inc. (US) 2006-03-15 EP disclosed
WO-2005030120-A2 ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2005-04-07 WO disclosed
US-20050014737-A1 Antiangiogenic agents ENTREMED, INC. 2005-01-20 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-20070135400-A1 Estradiol derivatives ESR2, NR5A1, ESRRB HSD17B10 133/4885LMNA 3670/4885CYP1A2 218/4885
US-20050014737-A1 Antiangiogenic agents VEGFA, TEK, FLT4 HSD17B10 2784/4885LMNA 4052/4885CYP1A2 3144/4885
US-20070010505-A1 Methods of treating disease states using antiangiogenic agents VEGFA, PGF, TEK HSD17B10 1968/4885LMNA 2822/4885CYP1A2 2008/4885

“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.