SCHEMBL12894656

SCHEMBL12894656

CC(C)c1ccc(/C=C/C(N)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.70
MAPK1 P28482 1/20 0.70
SMN1; SMN2 Q16637 7/20 0.58
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
POLB P06746 1/20 0.58
LMNA P02545 6/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
HPGD P15428 2/20 0.55
EGFR P00533 1/20 0.51
TYR P14679 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 3/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL1381805 1.00 KDM4E (0.70) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL28098346 0.87 KDM4E (0.53) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL11253548 0.84 KDM4E (0.75) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL11253542 0.84 KDM4E (0.75) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL1450230 0.83 F3 (0.52) SMN1; SMN2LMNAALDH1A1MAPTTYR
SCHEMBL30369401 0.83 RXRA (0.59) KDM4EMAPK1NPC1RAB9APOLB
SCHEMBL9785216 0.82 KDM4E (0.72) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL819055 0.82 KDM4E (1.00) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL8545871 0.82 KDM4E (0.72) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL8545869 0.82 KDM4E (0.72) KDM4EMAPK1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists SAINT LOUIS UNIVERSITY (US) 2023-07-25 US disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 US disclosed
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-28 US disclosed
CN-103232357-B Method for preparing alpha, beta-unsaturated amide UNIV SOOCHOW 2014-11-26 CN disclosed
CN-103232357-A Method for preparing alpha, beta-unsaturated amide UNIV SOOCHOW 2013-08-07 CN disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 KDM4E 3438/4885MAPK1 1244/4885SMN1; SMN2 1027/4885
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists P2RY14, P2RY4, P2RY13 KDM4E 4599/4885MAPK1 2687/4885SMN1; SMN2 482/4885
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 KDM4E 3486/4885MAPK1 1586/4885SMN1; SMN2 4458/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 KDM4E 3486/4885MAPK1 1586/4885SMN1; SMN2 4458/4885
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS P2RY14, P2RY4, P2RY13 KDM4E 4599/4885MAPK1 2687/4885SMN1; SMN2 482/4885

“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.