SCHEMBL6406431

SCHEMBL6406431

CC1CCC(C(C)C)C(OC(=O)C2CC2COCc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
CYP19A1 P11511 2/20 0.46
MAPK1 P28482 7/20 0.46
NPSR1 Q6W5P4 5/20 0.46
LMNA P02545 4/20 0.46
MITF O75030 4/20 0.46
HTT P42858 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
MAPT P10636 4/20 0.43
TSHR P16473 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.41

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
SCHEMBL21610681 0.94 ALDH1A1 (0.50) ALDH1A1HPGDCYP19A1MAPK1NPSR1
SCHEMBL21610591 0.94 ALDH1A1 (0.50) ALDH1A1HPGDCYP19A1MAPK1NPSR1
SCHEMBL6408773 0.94 ALDH1A1 (0.50) ALDH1A1HPGDCYP19A1MAPK1NPSR1
SCHEMBL6474528 0.88 MAPK1 (0.47) ALDH1A1HPGDCYP19A1MAPK1NPSR1
SCHEMBL6411232 0.87 ALDH1A1 (0.45) ALDH1A1HPGDCYP19A1MAPK1NPSR1
SCHEMBL6414694 0.85 ALDH1A1 (0.44) ALDH1A1HPGDCYP19A1MAPK1NPSR1
SCHEMBL6409620 0.80 ALDH1A1 (0.48) ALDH1A1HPGDCYP19A1MAPK1NPSR1
SCHEMBL6411935 0.80 ALDH1A1 (0.50) ALDH1A1HPGDCYP19A1MAPK1NPSR1
SCHEMBL6413599 0.79 ALDH1A1 (0.49) ALDH1A1HPGDCYP19A1MAPK1NPSR1
SCHEMBL6412808 0.78 ALDH1A1 (0.47) ALDH1A1HPGDCYP19A1MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids SUMITOMO CHEMICAL COMPAY LIMTED (JP) 2005-12-29 US disclosed
CN-1681767-A Method for manufacturing 2-(hydroxymethyl) cyclopropane carboxylic acid compound SUMITOMO CHEMICAL CO (JP) 2005-10-12 CN disclosed
EP-1538141-A1 PROCESS FOR PRODUCTION OF 2-(HYDROXYMETHYL)CYCLO- PROPANECARBOXYLIC ACIDS Sumitomo Chemical Company, Limited (JP) 2005-06-08 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-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids GRHPR, PCCA, C5 ALDH1A1 601/4885HPGD 43/4885CYP19A1 225/4885

“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.