SCHEMBL4554850

SCHEMBL4554850

CC(C)c1ccccc1Oc1ccc(C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.49
HTR2A P28223 4/20 0.46
SLC6A4 P31645 4/20 0.46
TTR P02766 1/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TYR P14679 1/20 0.44
CYP2A6 P11509 1/20 0.44
AR P10275 1/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL14138652 0.87 ALDH1A3 (0.46) ALDH1A3HTR2ASLC6A4TTRALDH1A1
SCHEMBL123775 0.86 SLC6A4 (0.58) HTR2ASLC6A4ALDH1A1LMNACYP1A2
SCHEMBL6498828 0.83 TTR (0.47) HTR2ASLC6A4TTRALDH1A1LMNA
SCHEMBL8311249 0.82 TTR (0.58) ALDH1A3TTRALDH1A1LMNACYP1A2
SCHEMBL24196783 0.81 TTR (0.63) ALDH1A3TTRALDH1A1LMNACYP1A2
SCHEMBL6682183 0.80 SLC6A4 (0.51) HTR2ASLC6A4ALDH1A1LMNACYP1A2
SCHEMBL18878420 0.79 SLC6A4 (0.51) HTR2ASLC6A4ALDH1A1LMNACYP1A2
SCHEMBL13160049 0.79 SLC6A4 (0.54) HTR2ASLC6A4ALDH1A1CYP1A2CYP2C9
SCHEMBL5609460 0.79 ALDH1A1 (0.55) HTR2ASLC6A4ALDH1A1LMNACYP1A2
SCHEMBL6437015 0.79 SLC6A4 (0.70) HTR2ASLC6A4ALDH1A1LMNACYP1A2

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
CN-107523055-B High-temperature-resistant alkynyl mono-maleimide modified bismaleimide resin and preparation method thereof 黑龙江省科学院石油化学研究院 2020-06-19 CN disclosed
US-8580832-B2 Substituted phenoxy aminothiazolones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-12 US disclosed
EP-2134698-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica, N.V. (BE) 2009-12-23 EP disclosed
WO-2008109737-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 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 (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-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators ESR2, ESRRA, ESRRG ALDH1A3 1642/4885HTR2A 2340/4885SLC6A4 3824/4885

“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.