SCHEMBL2248550

SCHEMBL2248550

COc1ccc(C#[N+][O-])cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
ACHE P22303 1/20 0.43
TSHR P16473 3/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
AR P10275 3/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDE4A P27815 2/20 0.37
NR3C1 P04150 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL2242699 0.83 MAOB (0.50) CA2TSHRMAPK1ALDH1A1NR3C1
SCHEMBL16641175 0.78 CA2 (0.54) CA2CA12CA1CA7CA9
SCHEMBL25244389 0.78 ALDH1A1 (0.42) TSHRARCYP1A2CYP3A4ALDH1A1
SCHEMBL31494287 0.78 ALDH1A1 (0.42) TSHRARCYP1A2CYP3A4ALDH1A1
SCHEMBL18315294 0.76 CA2 (0.52) CA2CA12CA1CA7CA9
SCHEMBL509522 0.72 AR (0.66) CA2CA12CA1CA7CA9
SCHEMBL18245103 0.72 CA2 (0.48) CA2CA12CA1CA7CA9
SCHEMBL8864683 0.72 CA2 (0.48) CA2CA12CA1CA7CA9
SCHEMBL56335 0.72 CA2 (0.48) CA2CA12CA1CA7CA9
SCHEMBL10423499 0.72 CA2 (0.48) CA2CA12CA1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265620-B1 SPIRO DERIVATIVES OF PARTHENIN AS NOVEL ANTICANCER AGENTS COUNCIL SCIENT IND RES (IN) 2014-06-18 EP disclosed
US-8609858-B2 Spiro derivatives of parthenin as novel anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-12-17 US disclosed
US-20110201661-A1 Spiro Derivatives of Parthenin as Novel Anticancer Agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-08-18 US disclosed
EP-2265620-A1 SPIRO DERIVATIVES OF PARTHENIN AS NOVEL ANTICANCER AGENTS Council Of Scientific & Industrial Research (IN) 2010-12-29 EP disclosed
WO-2009110007-A1 SPIRO DERIVATIVES OF PARTHENIN AS NOVEL ANTICANCER AGENTS COUNCIL QF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-11 WO 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-20110201661-A1 Spiro Derivatives of Parthenin as Novel Anticancer Agents CDK10, NEK10, AKR1B10 CA2 3317/4885CA12 4225/4885CA1 4049/4885

“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.