SCHEMBL4650512

SCHEMBL4650512

CCCCCONC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
EPHX1 P07099 1/20 0.45
TSHR P16473 2/20 0.44
NAAA Q02083 1/20 0.43
PLA2G2C Q5R387 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CNR2 P34972 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
FAAH O00519 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ACHE P22303 6/20 0.39
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL4762004 0.98 CES2 (0.50) CES2EPHX1TSHRNAAAPLA2G2C
SCHEMBL18525732 0.98 CES2 (0.50) CES2EPHX1TSHRNAAAPLA2G2C
SCHEMBL4855767 0.93
SCHEMBL840550 0.83
SCHEMBL14211695 0.83 CNR2 (0.59) TSHRALDH1A1CNR2TRPV1CNR1
SCHEMBL252825 0.82 EPHX1 (0.45) CES2EPHX1TSHRNAAACNR2
SCHEMBL1756788 0.82 EPHX1 (0.45) CES2EPHX1TSHRNAAACNR2
SCHEMBL8516233 0.80 EPHX1 (0.48) CES2EPHX1TSHRNAAAALDH1A1
SCHEMBL11670372 0.80 EPHX1 (0.48) CES2EPHX1TSHRNAAACNR2
SCHEMBL21724593 0.80 EPHX1 (0.48) CES2EPHX1TSHRNAAACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080193884-A1 Image Forming Method KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-08-14 US disclosed
US-7355074-B2 Compounds having aromatic rings and side-chain amide-functionality and a method for transporting monovalent anions across biological membranes using the same THE UNIVERSITY OF MARYLAND (US) 2008-04-08 US disclosed
EP-1906235-A1 METHOD FOR IMAGE FORMATION Konica Minolta Medical & Graphic, Inc. (JP) 2008-04-02 EP disclosed
EP-1571491-B1 Photothermographic material and method of forming images FUJIFILM CORP (JP) 2007-09-12 EP disclosed
US-7267934-B2 Method of forming an image KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-09-11 US disclosed
US-7208264-B2 Photothermographic material and method of forming images FUJIFILM CORPORATION (JP) 2007-04-24 US disclosed
US-20060014111-A1 Method of forming an image KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2006-01-19 US disclosed
US-20050202353-A1 Photothermographic material and method of forming images FUJI PHOTO FILM CO., LTD 2005-09-15 US disclosed
EP-1571491-A1 Photothermographic material and method of forming images FUJI PHOTO FILM CO., LTD. (JP) 2005-09-07 EP disclosed
US-20050009921-A1 Compounds having aromatic rings and side-chain amide-functionality and a method for transporting monovalent anions across biological membranes using the same MARYLAND, UNIVERSITY OF 2005-01-13 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-20050009921-A1 Compounds having aromatic rings and side-chain amide-functionality and a method for transporting monovalent anions across biological membranes using the same SLC26A3, SLC22A8, SLC43A1 CES2 1624/4885EPHX1 2121/4885TSHR 2124/4885

“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.