SCHEMBL12452458

SCHEMBL12452458

Cc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 19/20 0.80
▸ KDM4E B2RXH2 2/20 0.80
▸ ALDH1A1 P00352 2/20 0.80
▸ SMN1; SMN2 Q16637 2/20 0.80
▸ PIK3CD O00329 1/20 0.80
▸ PDE2A O00408 1/20 0.80
▸ PIK3C2A O00443 1/20 0.80
▸ PIK3R2 O00459 1/20 0.80
▸ PIK3C2B O00750 1/20 0.80
▸ BRD4 O60885 1/20 0.80
▸ PDE5A O76074 1/20 0.80
▸ TP53 P04637 1/20 0.80
▸ CYP1A2 P05177 1/20 0.80
▸ CYP3A4 P08684 1/20 0.80
▸ CYP2D6 P10635 1/20 0.80
▸ PIM1 P11309 1/20 0.80
▸ CYP2C9 P11712 1/20 0.80
▸ ALOX15 P16050 1/20 0.80
▸ TSHR P16473 1/20 0.80
▸ CSNK2A2 P19784 1/20 0.80

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
Ly-294002 SCHEMBL29424167 0.89 PRKDC (1.00) PRKDCKDM4EALDH1A1SMN1; SMN2PIK3CD
Ly-294002 SCHEMBL94377 0.89 PRKDC (1.00) PRKDCKDM4EALDH1A1SMN1; SMN2PIK3CD
SCHEMBL31061281 0.88 PRKDC (1.00) PRKDCKDM4EALDH1A1SMN1; SMN2PIK3CD
SCHEMBL29557073 0.88 PRKDC (0.80) PRKDCKDM4EALDH1A1SMN1; SMN2PIK3CD
SCHEMBL31060584 0.88 PRKDC (1.00) PRKDCKDM4EALDH1A1SMN1; SMN2PIK3CD
SCHEMBL4418721 0.88 PRKDC (0.80) PRKDCKDM4EALDH1A1SMN1; SMN2PIK3CD
SCHEMBL13700043 0.88 PRKDC (0.80) PRKDCKDM4EALDH1A1SMN1; SMN2PIK3CD
Ly-294002 SCHEMBL5078472 0.88 ALDH1A1 (1.00) PRKDCKDM4EALDH1A1SMN1; SMN2PIK3CD
SCHEMBL13496867 0.88 PRKDC (0.97) PRKDCKDM4EALDH1A1SMN1; SMN2PIK3CD
SCHEMBL12452457 0.87 PRKDC (0.82) PRKDCKDM4EALDH1A1SMN1; SMN2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289686-A1 METHODS FOR IDENTIFYING THERAPEUTIC TARGETS AND TREATING MONITORING CANCERS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2016-10-06 — — US disclosed
US-20120237533-A1 Compositions and Methods for Inducing Apoptosis in Prostate Cancer Cells WAKE FOREST UNIVERSITY HEALTH SCIENCES 2012-09-20 — — 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 (2 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-20160289686-A1 METHODS FOR IDENTIFYING THERAPEUTIC TARGETS AND TREATING MONITORING CANCERS TP53, KRAS, MYC PRKDC 140/4885KDM4E 1859/4885ALDH1A1 2140/4885
US-20120237533-A1 Compositions and Methods for Inducing Apoptosis in Prostate Cancer Cells BAX, CASP3, BCL2 PRKDC 2262/4885KDM4E 3885/4885ALDH1A1 2808/4885

“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.

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