SCHEMBL342705

SCHEMBL342705

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C(=O)O)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.45
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCB11 O95342 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
ABCB4 P21439 1/20 0.45
LPAR1 Q92633 1/20 0.45
ABCC2 Q92887 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
OPRD1 P41143 4/20 0.44
OPRK1 P41145 4/20 0.44
SLC22A1 O15245 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL343870 0.92 ABCC3 (0.43) OPRM1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14794646 0.87 LPAR1 (0.47) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL12973618 0.86 LPAR1 (0.52) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL343962 0.86 OPRM1 (0.44) OPRM1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL9939475 0.86 LPAR1 (0.54) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL1584 0.85 OPRM1 (0.44) OPRM1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL885 0.85 OPRM1 (0.44) OPRM1ABCC3ABCC4ABCB11CYP2C8
Benzene SCHEMBL13719569 0.85 ABCC3 (0.41) OPRM1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1752 0.85 KCNA3 (0.46) OPRM1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2026 0.84 OPRM1 (0.44) OPRM1ABCC3ABCC4ABCB11CYP2C8

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9987381-B2 Radioligands for imaging the LPA-1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-05 US disclosed
US-9987381-B2 Radioligands for imaging the LPA-1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-05 US disclosed
US-9987381-B2 Radioligands for imaging the LPA-1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-05 US disclosed
EP-2648726-B1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2018-04-04 EP disclosed
US-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2017-05-04 US disclosed
US-9556133-B2 Polycyclic LPA1 antagonist and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-20160256577-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-09-08 US disclosed
US-20160256577-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-09-08 US disclosed
US-20160256577-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-09-08 US disclosed
EP-3062827-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR Bristol-Myers Squibb Company (US) 2016-09-07 EP disclosed
WO-2012078805-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO disclosed
EP-2438048-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
US-8129557-B2 Phosphonic acid diester derivative and method for producing thereof Nagai, Kazuhiro (JP) 2012-03-06 US disclosed
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-8058300-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 US disclosed
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF HIRATAKE, GOU (JP) 2009-06-25 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 (5 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-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF LPAR1, LPAR2, LPAR4 OPRM1 2949/4885ABCC3 3549/4885ABCC4 3516/4885
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF PPA1, G6PD, PHOSPHO1 OPRM1 4660/4885ABCC3 4508/4885ABCC4 4275/4885
US-20160256577-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR LPAR1, LPAR3, LPAR2 OPRM1 1981/4885ABCC3 2753/4885ABCC4 3076/4885
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 OPRM1 912/4885ABCC3 2717/4885ABCC4 2854/4885
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 OPRM1 912/4885ABCC3 2717/4885ABCC4 2854/4885

“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.