SCHEMBL5242300

SCHEMBL5242300

COc1cc(C(=O)O)c(C)c(O)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA3 P07451 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
PTGS2 P35354 2/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MYC P01106 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL159393 0.85 MAPT (0.54) PKMCA12CA1CA2CA3
SCHEMBL18677529 0.84 PKM (0.59) PKMCA12CA1CA2CA3
SCHEMBL18394212 0.83 KDM4E (0.53) PKMCA12CA1CA2CA3
SCHEMBL30666055 0.83 KDM4E (0.53) PKMCA12CA1CA2CA3
SCHEMBL18419480 0.81 MAPT (0.62) PKMCA12CA1CA2CA3
SCHEMBL15269009 0.79 PKM (0.53) PKMCA12CA1CA2CA3
SCHEMBL5226973 0.77 LCK (0.52) PKMCA12CA1CA2CA3
SCHEMBL14363157 0.77 PKM (0.55) PKMCA12CA1CA2CA3
SCHEMBL4903560 0.77 PKM (0.58) PKMLCKFYNMAPTTDP1
SCHEMBL57368 0.77 MAPT (0.62) PKMCA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9052324-B2 Compounds and assays for controlling Wnt activity ENZO BIOCHEM, INC. (US) 2015-06-09 US disclosed
EP-1773805-A1 QUINAZOLIN-4-YL-PIPERIDINE AND CINNOLIN-4-YL-PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Incorporated (US) 2007-04-18 EP disclosed
WO-2006011040-A1 QUINAZOLIN-4-YL- PIPERIDINE AND CINNOLIN-4-YL- PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
US-20060019975-A1 Novel piperidyl derivatives of quinazoline and isoquinoline PFIZER INC 2006-01-26 US disclosed
US-5569786-A ANTICARCINOGENIC AGENTS, LEUKEMIA ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1996-10-29 US disclosed
US-5409953-A Administering to treat lymphocytic leukemia ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1995-04-25 US disclosed
EP-0276051-B1 ANTINEOPLASTIC COMPOUNDS ARIZONA BOARD OF REGENTS (US) 1991-08-21 EP disclosed
EP-0276051-A2 Antineoplastic compounds ARIZONA BOARD OF REGENTS (US) 1988-07-27 EP 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-20060019975-A1 Novel piperidyl derivatives of quinazoline and isoquinoline PDE5A, PDE4A, PDE3A PKM 1031/4885CA12 4544/4885CA1 3718/4885

“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.