SCHEMBL13494

SCHEMBL13494

Cc1noc(-c2ccc(Br)cc2)c1C(O)C/C=C/c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.40
IP6K3 Q96PC2 2/20 0.40
IP6K2 Q9UHH9 2/20 0.40
MCL1 Q07820 2/20 0.35
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC1 Q13547 1/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACACB O00763 5/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31

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
SCHEMBL14777413 1.00 IP6K1 (0.40) IP6K1IP6K3IP6K2MCL1ALDH1A1
SCHEMBL7450 0.91 HTR2A (0.37) ALDH1A1NPC1RAB9AHDAC1LPAR1
SCHEMBL1604526 0.91 HTR2A (0.37) ALDH1A1NPC1RAB9AHDAC1LPAR1
SCHEMBL14777651 0.87 BRD4 (0.36) IP6K1IP6K3IP6K2ALDH1A1L3MBTL1
SCHEMBL13701 0.87 BRD4 (0.36) IP6K1IP6K3IP6K2ALDH1A1L3MBTL1
SCHEMBL14616 0.81 HDAC1 (0.34) ALDH1A1NPC1RAB9AHDAC1LPAR1
SCHEMBL13719443 0.81 HDAC1 (0.34) ALDH1A1NPC1RAB9AHDAC1LPAR1
SCHEMBL4161 0.81 IP6K1 (0.38) IP6K1IP6K3IP6K2ALDH1A1L3MBTL1
SCHEMBL4160 0.81 IP6K1 (0.38) IP6K1IP6K3IP6K2ALDH1A1L3MBTL1
SCHEMBL1604078 0.74 LPAR1 (0.50) IP6K1IP6K3IP6K2ALDH1A1HDAC1

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-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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 (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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 IP6K1 376/4885IP6K3 414/4885IP6K2 299/4885

“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.