SCHEMBL2240955

SCHEMBL2240955

COc1ccc(C#[N+][O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA14 Q9ULX7 1/20 0.50
APP P05067 2/20 0.47
ACHE P22303 1/20 0.42
PKM P14618 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL11808449 0.81 ALDH1A1 (0.36) PKMTDP1MAPK1ALDH1A1KDM4E
SCHEMBL7632252 0.80
SCHEMBL8938593 0.73 ALDH1A1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL2248550 0.72 CA2 (0.43) CA1CA2CA7CA9CA12
SCHEMBL10300057 0.72 APP (0.77) CA1CA2CA7CA9CA12
SCHEMBL4082593 0.72 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL674764 0.72 APP (0.77) CA1CA2CA7CA9CA12
1,4-Dimethoxybenzene SCHEMBL8489 0.71 CA1 (1.00) CA1CA2CA7CA9CA12
1,4-Dimethoxybenzene SCHEMBL21802643 0.71 CA1 (1.00) CA1CA2CA7CA9CA12
SCHEMBL9715639 0.70 APP (0.74) CA1CA2CA7CA9CA12

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 CA1 4049/4885CA2 3317/4885CA7 2678/4885

“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.