SCHEMBL708939

SCHEMBL708939

CCCCC(=O)N(CCc1ccccc1)Cc1ccc(C=CC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.53
CA1 P00915 10/20 0.53
CA2 P00918 10/20 0.53
CA4 P22748 5/20 0.53
HDAC3 O15379 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
NCOR2 Q9Y618 1/20 0.51
LTB4R2 Q9NPC1 3/20 0.51
LTB4R Q15722 1/20 0.48
AKR1C3 P42330 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
SCHEMBL708938 1.00 CA12 (0.53) CA12CA1CA2CA4HDAC3
SCHEMBL13711730 0.86 KDM4E (0.52) CA12CA1CA2CA4LTB4R2
SCHEMBL706883 0.83 LTB4R2 (0.60) CA12CA1CA2CA4HDAC3
SCHEMBL28614845 0.78 ALDH1A1 (0.63) CA12CA1CA2CA4KDM4E
SCHEMBL1206901 0.78 ALDH1A1 (0.63) CA12CA1CA2CA4KDM4E
SCHEMBL1206905 0.78 ALDH1A1 (0.63) CA12CA1CA2CA4KDM4E
SCHEMBL2853642 0.78 FFAR1 (0.56) CA12CA1CA2CA4LTB4R2
SCHEMBL2853639 0.78 FFAR1 (0.56) CA12CA1CA2CA4LTB4R2
Hydrochloric Acid SCHEMBL11763070 0.77 ALDH1A1 (0.61) KDM4ENPC1ALDH1A1HPGDCASP3
SCHEMBL846033 0.77 ALDH1A1 (0.69) KDM4ENPC1ALDH1A1HPGDCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553075-B1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
EP-2565178-A1 LPA Receptor Antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-06 EP disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-8124645-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
US-7820682-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20080293764-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. 2008-11-27 US disclosed
US-20060148830-A1 Lpa receptor antagonist ONO PHARMACEUTICAL CO., LTD. 2006-07-06 US disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP 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 (4 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-20080293764-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 CA12 3240/4885CA1 2936/4885CA2 3099/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 CA12 3240/4885CA1 2936/4885CA2 3099/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 CA12 3240/4885CA1 2936/4885CA2 3099/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 CA12 3240/4885CA1 2936/4885CA2 3099/4885

“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.