SCHEMBL7049792

SCHEMBL7049792

CCC(=O)c1ccc(C)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSP90AB1 P08238 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP3A4 P08684 2/20 0.44
PTGS1 P23219 1/20 0.44
DRD3 P35462 1/20 0.44
CYP1A2 P05177 2/20 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
SCHEMBL10622910 0.84 CYP1A2 (0.44) ALDH1A1HTTCA12CA1CA2
SCHEMBL5186624 0.84 ALDH1A1 (0.54) ALDH1A1HPGDHTTATMCA12
SCHEMBL27907766 0.83 CA12 (0.58) ALDH1A1HPGDHTTATMCA12
SCHEMBL30389755 0.83 CA12 (0.58) ALDH1A1HPGDHTTATMCA12
SCHEMBL7701905 0.83 ALDH1A1 (0.53) ALDH1A1HPGDHTTATMMAPT
SCHEMBL2991009 0.83 CA12 (0.58) ALDH1A1HPGDHTTATMCA12
SCHEMBL8680479 0.81 HSD17B3 (0.51) ALDH1A1HTTATMMAPTL3MBTL1
SCHEMBL14357333 0.80 HPGD (0.50) ALDH1A1HPGDHTTATMMAPT
SCHEMBL27564987 0.80 ALDH1A1 (0.54) ALDH1A1HPGDHTTATMCA12
SCHEMBL28732226 0.80 HSP90AB1 (0.69) ALDH1A1HPGDHTTATMCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 US disclosed
CN-102119147-A Oxime ether derivative and bactericide for agricultural and horticultural use NIPPON SODA CO 2011-07-06 CN disclosed
EP-0609885-B1 Acridinium compounds and conjugates thereof MOCHIDA PHARM CO LTD (JP) 2003-04-16 EP disclosed
US-5594112-A CHEMILUMINESCENCE LABEL MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
US-5438139-A Chemiluminescent; useful as immunolochemical, DNA probe and receptor bininding assays MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US disclosed
EP-0609885-A1 Acridinium compounds and conjugates thereof MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1994-08-10 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 (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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 ALDH1A1 2237/4885HPGD 158/4885HTT 3412/4885

“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.