SCHEMBL3143071

SCHEMBL3143071

CCC(C(=O)O)N(C)c1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
NLRP3 Q96P20 1/20 0.40
HSD17B1 P14061 5/20 0.39
HSD17B2 P37059 5/20 0.39
OPRM1 P35372 2/20 0.39
SLC22A1 O15245 1/20 0.39
KYNU Q16719 1/20 0.37
ESR1 P03372 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
ACHE P22303 1/20 0.37
HTR7 P34969 1/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
GRIA2 P42262 1/20 0.36

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
SCHEMBL29173918 0.84 SLC6A2 (0.46) ALDH1A1HSD17B1HSD17B2LMNA
SCHEMBL430659 0.83 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4LMNA
SCHEMBL430660 0.83 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4LMNA
SCHEMBL21518499 0.83 SLC6A2 (0.47) ALDH1A1KDM4E
SCHEMBL21518473 0.81 MTNR1A (0.50) ALDH1A1HSD17B1HSD17B2ESR1
SCHEMBL21518476 0.80 POLQ (0.45) ALDH1A1CYP3A4KDM4E
Hydrochloric Acid SCHEMBL14632491 0.77 PLAU (0.44)
SCHEMBL28647276 0.77 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4HSD17B1HSD17B2
SCHEMBL21518496 0.76 SMN1; SMN2 (0.46) ALDH1A1CYP3A4LMNAKIF11
SCHEMBL3143698 0.76 SHBG (0.41) ALDH1A1ESR1ACHELMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO 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-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885TSHR 2239/4885CYP3A4 910/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885TSHR 743/4885CYP3A4 236/4885

“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.