SCHEMBL18682102

SCHEMBL18682102

CC(C)C(=O)c1cc(Cl)cc(CC(C)C(=O)c2cc(Cl)c(Cl)cc2F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MDM2 Q00987 3/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
APP P05067 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
SCHEMBL18682190 0.89 TSHR (0.33) HPGDALDH1A1HSD17B10MDM2LMNA
SCHEMBL17069268 0.80 POLB (0.40) HPGDMDM2LMNAMAPTSMN1; SMN2
SCHEMBL15113319 0.69 TRPA1 (0.46) ALDH1A1MDM2KDM4EAPP
SCHEMBL31413689 0.68 APP (0.39) HPGDALDH1A1HSD17B10LMNAMAPT
SCHEMBL13707877 0.67 POLB (0.51) HPGDLMNAMAPTSMN1; SMN2TSHR
SCHEMBL19426091 0.67 SCN9A (0.32)
SCHEMBL10137798 0.65 TP53 (0.39) HPGDALDH1A1HSD17B10LMNAMAPT
SCHEMBL12438055 0.65 TRPA1 (0.47) ALDH1A1MDM2LMNASMN1; SMN2TSHR
SCHEMBL19388171 0.64 ALDH1A1 (0.48) ALDH1A1MDM2LMNAKDM4E
SCHEMBL421965 0.63 AKR1C4 (0.60) HPGDALDH1A1HSD17B10LMNAMAPT

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-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 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-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR HPGD 3276/4885ALDH1A1 1503/4885HSD17B10 3348/4885

“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.