SCHEMBL3972795

SCHEMBL3972795

COC(=O)C1C(C)C(C)=CC(C=C(C)C)C1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.38
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL3978039 0.94 ALDH1A1 (0.43) ALDH1A1NPSR1POLBPPM1BPTPN1
SCHEMBL5954496 0.88 ALDH1A1 (0.50) ALDH1A1NPSR1POLBLMNA
SCHEMBL2131868 0.84 ALDH1A1 (0.44) ALDH1A1NPSR1POLBLMNA
SCHEMBL28451411 0.80 ALDH1A1 (0.41) ALDH1A1NPSR1
SCHEMBL169076 0.62 CYP2C19 (0.42) ALDH1A1POLBPPM1BPTPN1PPP1CC
SCHEMBL13769140 0.62 PPM1B (0.38) POLBPPM1BPTPN1PPP1CCCYP2C19
SCHEMBL257600 0.61 PPM1B (0.56) ALDH1A1POLBPPM1BPTPN1PPP1CC
SCHEMBL8917467 0.61 PPM1B (0.56) ALDH1A1POLBPPM1BPTPN1PPP1CC
SCHEMBL4036804 0.61 PPM1B (0.56) ALDH1A1POLBPPM1BPTPN1PPP1CC
SCHEMBL5490936 0.61 PPM1B (0.56) ALDH1A1POLBPPM1BPTPN1PPP1CC

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
WO-2018158437-A1 COMPOSITION JOTUN A/S (NO) 2018-09-07 WO disclosed
EP-1695956-B1 CYCLIC CARBOXYLIC ACID COMPOUND AND USE THEREOF CHUGOKU MARINE PAINTS (JP) 2012-06-20 EP disclosed
US-7557148-B2 Cyclic carboxylic acid compound and use thereof CHUGOKU MARINE PAINTS, LTD. (JP) 2009-07-07 US disclosed
US-7557148-B2 Cyclic carboxylic acid compound and use thereof CHUGOKU MARINE PAINTS, LTD. (JP) 2009-07-07 US disclosed
US-20070105976-A1 Cyclic carboxylic acid compound and use thereof CHUGOKU MARINE PLANTS, LTD. (JP) 2007-05-10 US disclosed
US-20070105976-A1 Cyclic carboxylic acid compound and use thereof CHUGOKU MARINE PLANTS, LTD. (JP) 2007-05-10 US disclosed
EP-1695956-A1 CYCLIC CARBOXYLIC ACID COMPOUND AND USE THEREOF CHUGOKU MARINE PAINTS, LTD. (JP) 2006-08-30 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-20070105976-A1 Cyclic carboxylic acid compound and use thereof PORCN, PHOSPHO1, CA1 ALDH1A1 1385/4885NPSR1 1369/4885POLB 350/4885

“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.