SCHEMBL708971

SCHEMBL708971

COC(=O)c1ccccc1-c1ccc(CNCCCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.52
SLC6A4 P31645 3/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
BCHE P06276 1/20 0.49
SIGMAR1 Q99720 3/20 0.49
BRS3 P32247 2/20 0.48

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
SCHEMBL707697 0.93 MEN1 (0.59) SLC6A3SLC6A4MEN1KMT2AATM
Hydrochloric Acid SCHEMBL707696 0.91 MEN1 (0.57) SLC6A3SLC6A4MEN1KMT2AATM
SCHEMBL5061628 0.88 SLC6A3 (0.61) SLC6A3SLC6A4LTB4R2BRS3BDKRB1
Hydrochloric Acid SCHEMBL16507045 0.81 CYP4A11 (0.57) MEN1KMT2AATMHDAC1HDAC3
Bicarbonate SCHEMBL27523978 0.80 LTB4R2 (0.60) SLC6A3SLC6A4MEN1KMT2ALTB4R2
SCHEMBL9808846 0.80 LTB4R2 (0.60) SLC6A3SLC6A4MEN1KMT2ALTB4R2
SCHEMBL10712914 0.79 HDAC1 (0.51) SLC6A3SLC6A4MEN1KMT2AATM
SCHEMBL3126366 0.78 SLC6A3 (0.58) SLC6A3SLC6A4LTB4R2BDKRB1SLC6A2
SCHEMBL8792048 0.78 SLC6A3 (0.64) SLC6A3SLC6A4KMT2ALTB4R2BRS3
Hydrochloric Acid SCHEMBL16506842 0.77 SIGMAR1 (0.62) MEN1KMT2AATMHDAC1HDAC3

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 13 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-20080064731-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO.,LTD. 2008-03-13 US disclosed
US-7300917-B2 Remedy for chronic disease ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-27 US disclosed
US-20060148830-A1 Lpa receptor antagonist ONO PHARMACEUTICAL CO., LTD. 2006-07-06 US disclosed
US-20060135577-A1 Remedy for chronic disease ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP disclosed
EP-1550461-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-06 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 (6 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 SLC6A3 2791/4885SLC6A4 3408/4885MEN1 1200/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 SLC6A3 2791/4885SLC6A4 3408/4885MEN1 1200/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 SLC6A3 2791/4885SLC6A4 3408/4885MEN1 1200/4885
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE EDNRA, EDNRB, LPAR2 SLC6A3 3695/4885SLC6A4 4110/4885MEN1 4134/4885
US-20060135577-A1 Remedy for chronic disease EDNRA, EDNRB, LPAR2 SLC6A3 3695/4885SLC6A4 4110/4885MEN1 4134/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 SLC6A3 2791/4885SLC6A4 3408/4885MEN1 1200/4885

“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.