SCHEMBL6406911

SCHEMBL6406911

CC1CCC(C(C)C)C(OC(=O)C2C(COC(c3ccccc3)c3ccccc3)C2(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NPSR1 Q6W5P4 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NTSR1 P30989 2/20 0.45
CYP19A1 P11511 2/20 0.44
P2RX4 Q99571 1/20 0.43
MAPK1 P28482 5/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.41
TSHR P16473 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
SCHEMBL1685632 0.84 ALDH1A1 (0.49) ALDH1A1HPGDCA1CA2NPSR1
SCHEMBL6412808 0.84 ALDH1A1 (0.47) ALDH1A1HPGDCA1CA2NPSR1
SCHEMBL6411935 0.84 ALDH1A1 (0.50) ALDH1A1HPGDCA1CA2NPSR1
SCHEMBL6414720 0.83 ALDH1A1 (0.46) ALDH1A1HPGDCA1CA2NPSR1
SCHEMBL6408792 0.82 ALDH1A1 (0.48) ALDH1A1HPGDCA1CA2NPSR1
SCHEMBL6414694 0.81 ALDH1A1 (0.44) ALDH1A1HPGDCA1CA2NPSR1
SCHEMBL6407554 0.81 MAPK1 (0.44) ALDH1A1HPGDCA1CA2NPSR1
SCHEMBL6408824 0.81 MAPK1 (0.44) ALDH1A1HPGDCA1CA2NPSR1
SCHEMBL1685668 0.79 EPHX1 (0.44) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL6473488 0.79 CYP19A1 (0.45) ALDH1A1HPGDNPSR1MEN1KMT2A

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 2 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
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 43/4885CA1 143/4885

“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.