SCHEMBL20021532

SCHEMBL20021532

CC(C)(C)c1ccc2c(c1)OCC(CC(C)(C)c1ccc3occc3c1)CO2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPM2A O95278 1/20 0.34
PTPRC P08575 1/20 0.34
PTPN6 P29350 1/20 0.34
CDC14A Q9UNH5 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP19A1 P11511 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
AIMP2 Q13155 1/20 0.30

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
SCHEMBL2605170 0.75 EPM2A (0.53) EPM2APTPRCPTPN6CDC14APTPN22
Benzene SCHEMBL29028842 0.72 EPM2A (0.50) EPM2APTPRCPTPN6CDC14APTPN22
SCHEMBL25814574 0.71 CYP19A1 (0.42) ALDH1A1CYP19A1NPC1RAB9ALTB4R
SCHEMBL12761344 0.70 EPM2A (0.49) EPM2APTPRCPTPN6CDC14APTPN22
SCHEMBL24065682 0.69 ALDH1A1 (0.41) ALDH1A1CYP19A1NPC1RAB9AAIMP2
SCHEMBL18910392 0.69 ALDH1A1 (0.41) ALDH1A1CYP19A1NPC1RAB9AAIMP2
SCHEMBL23024716 0.68 CYP19A1 (0.46) ALDH1A1CYP19A1NPC1RAB9AAIMP2
SCHEMBL25815539 0.67 CYP19A1 (0.34) ALDH1A1CYP19A1NPC1RAB9ALTB4R
SCHEMBL22134628 0.66 CYP19A1 (0.44) ALDH1A1CYP19A1NPC1RAB9AAIMP2
SCHEMBL24904423 0.66 TRPV1 (0.43) ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647678-B2 Quinoline derivatives as inhibitors of heat shock factor 1 pathway activity CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-05-12 US disclosed
US-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-04-05 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 (2 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-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY HSF1, HSP90AB1, HSP90AB2P EPM2A 3218/4885PTPRC 3078/4885PTPN6 3458/4885
US-10647678-B2 Quinoline derivatives as inhibitors of heat shock factor 1 pathway activity HSF1, HSP90AB1, HSP90AB2P EPM2A 3218/4885PTPRC 3078/4885PTPN6 3458/4885

“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.