SCHEMBL2610030

SCHEMBL2610030

COc1cc2c(cc1C(N)=O)CCC1C2CC[C@]2(C)C(C)CCC12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.60
CA9 Q16790 4/20 0.60
STS P08842 5/20 0.58
CYP3A4 P08684 4/20 0.58
HSD17B10 Q99714 3/20 0.58
LMNA P02545 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP1A1 P04798 2/20 0.58
CYP1B1 Q16678 2/20 0.58
CYP19A1 P11511 2/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
CYP2C19 P33261 1/20 0.58
THPO P40225 1/20 0.58
GMNN O75496 1/20 0.58
SHBG P04278 1/20 0.58

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
SCHEMBL14599349 0.90 CA2 (0.65) CA2CA9STSCYP3A4HSD17B10
SCHEMBL4782870 0.90 CA2 (0.65) CA2CA9STSCYP3A4HSD17B10
SCHEMBL14305061 0.90 CA2 (0.65) CA2CA9STSCYP3A4HSD17B10
SCHEMBL2610033 0.90 LMNA (0.72) CA2CA9STSCYP3A4HSD17B10
SCHEMBL2610038 0.89 CA2 (0.50) CA2CA9STSCYP3A4HSD17B10
SCHEMBL10054996 0.86 CYP19A1 (0.55) CA2CA9STSHSD17B10LMNA
SCHEMBL2610034 0.86 CA2 (0.81) CA2CA9STSCYP3A4HSD17B10
SCHEMBL14070624 0.84 HSD17B10 (0.60) CA2CA9STSCYP3A4HSD17B10
SCHEMBL14311225 0.84 CYP1A2 (0.80) CA2CA9STSCYP3A4HSD17B10
SCHEMBL3430113 0.84 CYP1A2 (0.80) CA2CA9STSCYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158612-B2 Methods of treating disease states using antiangiogenic agents ENTREMED, INC. (US) 2012-04-17 US disclosed
US-8158612-B2 Methods of treating disease states using antiangiogenic agents ENTREMED, INC. (US) 2012-04-17 US disclosed
US-20090105205-A1 METHODS OF TREATING DISEASE STATES USING ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2009-04-23 US disclosed
US-20090105205-A1 METHODS OF TREATING DISEASE STATES USING ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2009-04-23 US disclosed
US-7498322-B2 Antiangiogenic agents ENTREMED, INC. (US) 2009-03-03 US disclosed
US-7498322-B2 Antiangiogenic agents ENTREMED, INC. (US) 2009-03-03 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-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
US-20070004689-A1 Antiangiogenic agents ENTREMED, INC. 2007-01-04 US disclosed
US-20070004689-A1 Antiangiogenic agents ENTREMED, INC. 2007-01-04 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 (5 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-20090105205-A1 METHODS OF TREATING DISEASE STATES USING ANTIANGIOGENIC AGENTS VEGFA, EGLN3, CCNH CA2 806/4885CA9 754/4885STS 414/4885
US-20080234243-A1 2-methoxyestradiol or 2-methoxyestradiol derivatives; Alzheimer's disease or related neural diseases PSEN2, APP, BACE2 CA2 1801/4885CA9 3711/4885STS 3662/4885
US-20070135400-A1 Estradiol derivatives ESR2, NR5A1, ESRRB CA2 3412/4885CA9 2578/4885STS 446/4885
US-20070004689-A1 Antiangiogenic agents VEGFA, FLT4, HDGF CA2 985/4885CA9 381/4885STS 471/4885
US-20070010505-A1 Methods of treating disease states using antiangiogenic agents VEGFA, PGF, TEK CA2 526/4885CA9 582/4885STS 979/4885

“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.