SCHEMBL20021297

SCHEMBL20021297

Cc1cc(C(C)(C)C)cc2c1OCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
ATM Q13315 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR1D P28221 3/20 0.33
HTR1B P28222 2/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
NOTUM Q6P988 1/20 0.31
HTR1A P08908 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
TSHR P16473 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL24127095 0.83 NOTUM (0.44) ATMTDP1NOTUM
SCHEMBL20416982 0.79 RAPGEF4 (0.35) NOTUMLMNA
SCHEMBL13534195 0.76 NOTUM (0.38) NOTUM
SCHEMBL31472199 0.76 NOTUM (0.32) NOTUMKCNH2MAPT
SCHEMBL3889397 0.76 AKT1 (0.40) NOTUMLMNACHRM1ADRA1AHTR2B
SCHEMBL10093043 0.76 PARP1 (0.44) NOTUMHTR1ALMNA
SCHEMBL25612960 0.74 MAPT (0.41) POLBATMHTR1DHTR1BHTR1A
SCHEMBL19810406 0.74 PTGS1 (0.42) POLBATMTDP1PTGS1PTGS2
SCHEMBL13629594 0.73 MAPT (0.38) PTGS1PTGS2NOTUMKCNH2MAPT
SCHEMBL20021299 0.73 POLB (0.36) POLBHTR1DHTR1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY HSF1, HSP90AB1, HSP90AB2P POLB 1826/4885ATM 792/4885TDP1 1952/4885

“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.