SCHEMBL17549504

SCHEMBL17549504

CC(C)c1cccc([C@H](C)C2CC2)c1OCOC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.40
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
GLRA1 P23415 2/20 0.37
SOAT2 O75908 1/20 0.36
SOAT1 P35610 1/20 0.36
DPP4 P27487 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A2 P23975 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL28110030 0.95 TYR (0.37) TYRALPIPKMPTGS1XIAP
Trifluoroacetic Acid SCHEMBL17537149 0.95 TYR (0.37) TYRALPIPKMPTGS1XIAP
SCHEMBL17549495 0.86 LARS1 (0.33) SOAT2SOAT1
SCHEMBL21154976 0.86 LARS1 (0.33) SOAT2SOAT1
Trifluoroacetic Acid SCHEMBL17537129 0.84 DPP4 (0.33) GLRA1DPP4
SCHEMBL17549493 0.83 SCN5A (0.34) SOAT2SOAT1
SCHEMBL17598365 0.81 LMNA (0.37) SOAT2SOAT1LMNATDP1
Trifluoroacetic Acid SCHEMBL17537151 0.81 DPP4 (0.36) GLRA1DPP4
SCHEMBL17549488 0.81 SCN5A (0.35)
SCHEMBL17549500 0.81 DPP8 (0.35) DPP4

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
US-9517988-B2 Phenol derivative and preparation method and use in medicine thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-12-13 US disclosed
US-9517988-B2 Phenol derivative and preparation method and use in medicine thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-12-13 US disclosed
EP-2995604-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2016-03-16 EP disclosed
US-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-03-03 US disclosed
US-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-03-03 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-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF CYP2D6, CYP2B6, CYP2A6 TYR 73/4885ALPI 311/4885PKM 300/4885

“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.