SCHEMBL6409620

SCHEMBL6409620

CC1CCC(C(C)C)C(OC(=O)C2C(C)C2COCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
CYP19A1 P11511 2/20 0.47
NPSR1 Q6W5P4 4/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6411232 0.94 ALDH1A1 (0.45) ALDH1A1HPGDCYP19A1NPSR1MAPT
SCHEMBL6411229 0.89 CYP19A1 (0.45) ALDH1A1HPGDCYP19A1NPSR1MAPT
SCHEMBL6408792 0.86 ALDH1A1 (0.48) ALDH1A1HPGDCYP19A1NPSR1MAPT
SCHEMBL6408773 0.85 ALDH1A1 (0.50) ALDH1A1HPGDCYP19A1NPSR1MAPT
SCHEMBL21610681 0.85 ALDH1A1 (0.50) ALDH1A1HPGDCYP19A1NPSR1MAPT
SCHEMBL21610591 0.85 ALDH1A1 (0.50) ALDH1A1HPGDCYP19A1NPSR1MAPT
SCHEMBL6406519 0.83 ALDH1A1 (0.47) ALDH1A1HPGDCYP19A1NPSR1MAPT
SCHEMBL6412808 0.82 ALDH1A1 (0.47) ALDH1A1HPGDCYP19A1NPSR1MAPT
SCHEMBL6406431 0.80 ALDH1A1 (0.47) ALDH1A1HPGDCYP19A1NPSR1MAPT
SCHEMBL6411361 0.80 ALDH1A1 (0.43) ALDH1A1HPGDCYP19A1NPSR1MAPT

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.