SCHEMBL142937

SCHEMBL142937

Cc1cccc(C(=O)O)c1.Cc1cccc(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.65
POLB P06746 3/20 0.63
SMN1; SMN2 Q16637 1/20 0.62
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
TPMT P51580 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA6 P23280 1/20 0.58
CA9 Q16790 1/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
KCNK3 O14649 2/20 0.55
KCNK9 Q9NPC2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.55

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
SCHEMBL29382709 1.00 PARP1 (0.65) PARP1POLBSMN1; SMN2HDAC8HDAC6
SCHEMBL14406 1.00 PARP1 (0.65) PARP1POLBSMN1; SMN2HDAC8HDAC6
Iodide SCHEMBL6113184 0.98 PARP1 (0.63) PARP1POLBSMN1; SMN2HDAC8HDAC6
SCHEMBL6915713 0.98 PARP1 (0.63) PARP1POLBSMN1; SMN2HDAC8HDAC6
SCHEMBL1151724 0.98 PARP1 (0.63) PARP1POLBSMN1; SMN2HDAC8HDAC6
SCHEMBL6910112 0.98 PARP1 (0.63) PARP1POLBSMN1; SMN2HDAC8HDAC6
SCHEMBL6916592 0.98 PARP1 (0.63) PARP1POLBSMN1; SMN2HDAC8HDAC6
SCHEMBL6917457 0.98 PARP1 (0.63) PARP1POLBSMN1; SMN2HDAC8HDAC6
Ammonia Solution, Strong SCHEMBL1667011 0.98 PARP1 (0.63) PARP1POLBSMN1; SMN2HDAC8HDAC6
Ammonia Solution, Strong SCHEMBL1667008 0.98 PARP1 (0.63) PARP1POLBSMN1; SMN2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058024-A1 SYSTEM AND PROCESS FOR PRODUCTION OF BENZOIC ACIDS AND PHTHALIC ACIDS H R D CORPORATION (US) 2012-03-08 US disclosed
US-7994330-B2 Oxidizing p-xylene to terephthalic acid using a catalyst having a dicarboximide skeleton; hydrothermally treating the product with hot water, decomposing and removing catalyst impurities DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-08-09 US disclosed
WO-2011031424-A2 HIGH SHEAR SYSTEM AND METHOD FOR THE PRODUCTION OF ACIDS HRD CORPORATION (US) 2011-03-17 WO disclosed
US-20110031000-A1 RESIN COMPOSITION, CARRIER MATERIAL WITH RESIN, MULTI-LAYERED PRINTED CIRCUIT BOARD, AND SEMICONDUCTOR DEVICE SUMITOMO BAKELITE CO., LTD. (JP) 2011-02-10 US disclosed
US-20090092975-A1 SELECTABLE MARKER MOLOGIC LTD (GB) 2009-04-09 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-20090092975-A1 SELECTABLE MARKER AMD1, PADI1, PSAT1 PARP1 1276/4885POLB 425/4885SMN1; SMN2 3648/4885

“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.