SCHEMBL1071303

SCHEMBL1071303

CC1(C)CC(=O)C=C(CO)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
APEX1 P27695 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL19621118 0.81 LMNA (0.50) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL7057576 0.78 LMNA (0.51) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL178864 0.75 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL20370331 0.75 MAPT (0.51) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL24531686 0.73 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL14838496 0.73 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL107302 0.73 MAPT (0.42) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL2241228 0.71 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL24281920 0.71 GAA (0.45) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL12459980 0.71 MAPT (0.41) ALDH1A1KMT2AMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12077801-B2 Regioselective hydroxylation of isophorone DSM IP ASSETS B.V. (NL) 2024-09-03 US disclosed
US-20210108234-A1 REGIOSELECTIVE HYDROXYLATION OF ISOPHORONE DSM IP ASSETS B.V. (NL) 2021-04-15 US disclosed
EP-3607076-A1 REGIOSELECTIVE HYDROXYLATION OF ISOPHORONE AND FURTHER CONVERSION TO KETOISOPHORONE DSM IP Assets B.V. (NL) 2020-02-12 EP disclosed
WO-2018185304-A1 REGIOSELECTIVE HYDROXYLATION OF ISOPHORONE AND FURTHER CONVERSION TO KETOISOPHORONE DSM IP ASSETS B.V. (NL) 2018-10-11 WO disclosed
EP-1797953-B1 PROCESS FOR PRODUCING OXYGENIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2011-01-05 EP disclosed
US-20080064898-A1 Method for Producing Oxygen-Containing Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-13 US disclosed
US-7276622-B2 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-02 US disclosed
EP-1797953-A1 PROCESS FOR PRODUCING OXYGENIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-06-20 EP disclosed
US-20060173221-A1 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-03 US disclosed
EP-1609777-A1 METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND Sumitomo Chemical Company, Limited (JP) 2005-12-28 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 (2 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-20080064898-A1 Method for Producing Oxygen-Containing Compound AOC2, AOX1, CAT ALDH1A1 36/4885KMT2A 1283/4885MEN1 2767/4885
US-20060173221-A1 Method for producing oxygen-containing compound GPX4, DUOX2, SCO2 ALDH1A1 863/4885KMT2A 2326/4885MEN1 2707/4885

“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.