SCHEMBL2552398

SCHEMBL2552398

CC(=O)Nc1cc(C)c(O)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
ALDH1A1 P00352 4/20 0.57
GAA P10253 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
BRD4 O60885 1/20 0.50
NR1I2 O75469 1/20 0.50
MB P02144 1/20 0.50
CYP1A1 P04798 1/20 0.50
CA3 P07451 1/20 0.50
CYP3A4 P08684 1/20 0.50
RARG P13631 1/20 0.50
TSHR P16473 1/20 0.50
ALOX5AP P20292 1/20 0.50
CA4 P22748 1/20 0.50

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
SCHEMBL15798410 0.88 LMNA (0.53) LMNAALDH1A1GAATDP1MEN1
SCHEMBL11431434 0.86 LMNA (0.52) LMNAALDH1A1GAATDP1MEN1
SCHEMBL18751502 0.86 LMNA (0.52) LMNAALDH1A1GAATDP1MEN1
SCHEMBL13061725 0.86 LMNA (0.52) LMNAALDH1A1GAATDP1MEN1
SCHEMBL3030037 0.86 LMNA (0.60) LMNAALDH1A1GAATDP1MEN1
SCHEMBL9306137 0.86 LMNA (0.47) LMNAALDH1A1GAATDP1MEN1
SCHEMBL23539085 0.84 GAA (0.47) LMNAALDH1A1GAATDP1MEN1
SCHEMBL4740889 0.84 CYTH2 (0.47) LMNAALDH1A1GAATDP1MEN1
SCHEMBL10620132 0.80 LMNA (0.54) LMNAALDH1A1GAATDP1MEN1
SCHEMBL16302253 0.80 LMNA (0.54) LMNAALDH1A1GAATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108505063-B A kind of electrochemical preparation method of N- (3,5- dimethyl -4- hydroxy phenyl) acetamide 华南理工大学 2019-11-05 CN claimed
CN-108505063-A A kind of electrochemical preparation method of N- (3,5- dimethyl -4- hydroxy phenyls) acetamide 华南理工大学 2018-09-07 CN claimed
CN-108505063-B A kind of electrochemical preparation method of N- (3,5- dimethyl -4- hydroxy phenyl) acetamide 华南理工大学 2019-11-05 CN disclosed
CN-108505063-B A kind of electrochemical preparation method of N- (3,5- dimethyl -4- hydroxy phenyl) acetamide 华南理工大学 2019-11-05 CN disclosed
CN-108505063-B A kind of electrochemical preparation method of N- (3,5- dimethyl -4- hydroxy phenyl) acetamide 华南理工大学 2019-11-05 CN disclosed
CN-108505063-A A kind of electrochemical preparation method of N- (3,5- dimethyl -4- hydroxy phenyls) acetamide 华南理工大学 2018-09-07 CN disclosed
CN-108505063-A A kind of electrochemical preparation method of N- (3,5- dimethyl -4- hydroxy phenyls) acetamide 华南理工大学 2018-09-07 CN disclosed
CN-102791705-B Inverse agonist and neutral antagonist for tsh receptor 美国政府(由卫生和人类服务部的部长所代表) 2016-08-03 CN disclosed
US-9206154-B2 Inverse agonists and neutral antagonists for the TSH receptor THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-12-08 US disclosed
US-9206154-B2 Inverse agonists and neutral antagonists for the TSH receptor THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-12-08 US disclosed
US-9206154-B2 Inverse agonists and neutral antagonists for the TSH receptor THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-12-08 US disclosed
EP-2563777-A2 INVERSE AGONISTS AND NEUTRAL ANTAGONISTS FOR THE TSH RECEPTOR The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2013-03-06 EP disclosed
US-20120315217-A1 INVERSE AGONISTS AND NEUTRAL ANTAGONISTS FOR THE TSH RECEPTOR THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-12-13 US disclosed
US-20120315217-A1 INVERSE AGONISTS AND NEUTRAL ANTAGONISTS FOR THE TSH RECEPTOR THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-12-13 US disclosed
US-20120315217-A1 INVERSE AGONISTS AND NEUTRAL ANTAGONISTS FOR THE TSH RECEPTOR THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-12-13 US disclosed
CN-102791705-A Inverse agonists and neutral antagonists for the TSH receptor US HEALTH (US) 2012-11-21 CN disclosed
WO-2011127388-A2 INVERSE AGONISTS AND NEUTRAL ANTAGONISTS FOR THE TSH RECEPTOR THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-10-13 WO disclosed
WO-2011127388-A2 INVERSE AGONISTS AND NEUTRAL ANTAGONISTS FOR THE TSH RECEPTOR THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-10-13 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-20120315217-A1 INVERSE AGONISTS AND NEUTRAL ANTAGONISTS FOR THE TSH RECEPTOR TSHR, TRHR, THRA LMNA 4131/4885ALDH1A1 4701/4885GAA 3511/4885

“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.