SCHEMBL3129071

SCHEMBL3129071

CCOC(=O)CCc1ccc(Oc2ccc(N(CCOC)C(=O)OCc3ccccc3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.41
ACACB O00763 3/20 0.41
ACACA Q13085 3/20 0.41
LTA4H P09960 3/20 0.41
OPRM1 P35372 5/20 0.40
OPRD1 P41143 5/20 0.40
OPRK1 P41145 3/20 0.40
AVPR1A P37288 1/20 0.39
AVPR2 P30518 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
MLNR O43193 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL4714705 0.91 FFAR1 (0.45) OXTRACACBACACAOPRM1OPRD1
SCHEMBL5169409 0.76 ACACB (0.45) ACACBACACALTA4HOPRM1OPRD1
SCHEMBL3134853 0.76 NPC1 (0.48) ACACBACACALTA4HOPRM1OPRD1
SCHEMBL3138642 0.72 P2RX3 (0.45) ACACBOPRM1OPRD1OPRK1
SCHEMBL3146690 0.71 CYP4F2 (0.51) ACACBACACAOPRM1OPRD1OPRK1
SCHEMBL3146712 0.71 CYP4F2 (0.40) ACACB
SCHEMBL3091164 0.70 FFAR1 (0.68) LTA4HALOX5
SCHEMBL3147179 0.69 RAB9A (0.49) ACACBLTA4HOPRM1OPRD1OPRK1
SCHEMBL2773677 0.69 FFAR1 (0.66) ALOX5
SCHEMBL8550447 0.69 ABCB1 (0.57) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
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
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 OXTR 78/4885ACACB 2742/4885ACACA 1673/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 OXTR 2066/4885ACACB 4221/4885ACACA 3915/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 OXTR 58/4885ACACB 1332/4885ACACA 890/4885

“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.