SCHEMBL20173417

SCHEMBL20173417

Cc1ccc(C(O)c2ccc[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 2/20 0.41
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX5 P09917 2/20 0.33
CHRNA7 P36544 1/20 0.33
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 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
SCHEMBL8026287 0.82 SMN1; SMN2 (0.39) MLKLKMT2ALMNATSHRKDM4E
SCHEMBL14282583 0.81 MLKL (0.40) MLKLKMT2ALMNAHSD17B10TSHR
SCHEMBL10146241 0.80 GAA (0.39) MLKLKMT2ALMNAKDM4ENPC1
SCHEMBL10366551 0.79 DAO (0.37) TSHRKDM4EGAAMAPT
SCHEMBL28780403 0.74 CYP19A1 (0.38) LMNAHSD17B10KDM4ENPC1RAB9A
SCHEMBL18184934 0.74 CA12 (0.47) KMT2ALMNATSHRKDM4ENPC1
SCHEMBL96180 0.73 ACHE (0.50) MLKLKMT2ALMNAHSD17B10TSHR
Hydrochloric Acid SCHEMBL29699724 0.71 ACHE (0.47) MLKLKMT2ALMNAHSD17B10TSHR
SCHEMBL30041764 0.70 GAA (0.38) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10538853 0.70 CA1 (0.42) HSD17B10TSHRKDM4ECYP3A4CYP2D6

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-20180143185-A1 CHEMICAL FLUORESCENT PROBES FOR DETECTING BIOFILMS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2018-05-24 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-20180143185-A1 CHEMICAL FLUORESCENT PROBES FOR DETECTING BIOFILMS GMPS, FAP, FDPS MLKL 746/4885KMT2A 4536/4885LMNA 1586/4885

“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.