SCHEMBL5498049

SCHEMBL5498049

COc1cccc(Oc2cc(Cl)c(F)cc2C=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
PRKDC P78527 1/20 0.36
LMNA P02545 1/20 0.36
SRC P12931 1/20 0.36
GAA P10253 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL14595889 0.82 ERN1 (0.44) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL1185262 0.81 ALDH1A1 (0.59) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL5501642 0.76 TAAR1 (0.51) MAPT
SCHEMBL5288675 0.76 NPC1 (0.46) ALDH1A1KDM4EHPGDLMNAGAA
SCHEMBL692277 0.76 ALDH1A1 (0.57) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL31631787 0.76 ALDH1A1 (0.57) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL18570622 0.76 SCN8A (0.46) ERN1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5457539 0.75 TAAR1 (0.50)
SCHEMBL5501635 0.75 SLC6A4 (0.58) MAPT
SCHEMBL15917655 0.75 SCN8A (0.47) ERN1ALDH1A1KDM4ETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP disclosed
WO-2007010350-A1 SYNTHESIS OF THERAPEUTIC DIPHENYL ETHERS PFIZER PRODUCTS INC. (US) 2007-01-25 WO disclosed
US-20070021634-A1 SYNTHESIS OF THERAPEUTIC DIPHENYL ETHERS PFIZER INC 2007-01-25 US disclosed
US-20070021634-A1 SYNTHESIS OF THERAPEUTIC DIPHENYL ETHERS PFIZER INC 2007-01-25 US disclosed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO disclosed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 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-20070021634-A1 SYNTHESIS OF THERAPEUTIC DIPHENYL ETHERS DHFR, CYP2F1, EPOR ERN1 1062/4885TLR2 1988/4885TLR1 3045/4885
US-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B ERN1 4816/4885TLR2 121/4885TLR1 503/4885

“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.