SCHEMBL3598845

SCHEMBL3598845

CC(C)CCc1[c]cccc1O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
TSHR P16473 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TYR P14679 2/20 0.30
ALDH1A1 P00352 1/20 0.30
AKT1 P31749 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
SCHEMBL9359701 0.80 CNR1 (0.35) TSHRKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL677325 0.78 SLC6A2 (0.35) DHODHGABRA1GABRB2
SCHEMBL6271210 0.78 TDP1 (0.34) KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL19405532 0.77 GRM2 (0.36) DHODH
SCHEMBL19405416 0.77 SLC6A2 (0.38) DHODHKDM4E
SCHEMBL19405632 0.77 DHODH (0.31) DHODH
SCHEMBL3589000 0.77 CYP3A4 (0.33) DHODH
SCHEMBL6222946 0.77 TYR (0.39) TSHRHPGDTYRALDH1A1
SCHEMBL6868166 0.76 BID (0.41) TSHRKDM4EHSD17B10TYRALDH1A1
SCHEMBL1633732 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741242-B2 Prepared by crosslinking a homogenized an addition polymer containing units from an unsaturated aryl-containing glycidyl ether or ester and an unsaturated alcohol or carboxylic acid and a zero-valent Pd compound to physically deposit the Pd compound on the polymer; oxidizing alcohols to aldehydes WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-22 US disclosed
EP-1537913-B1 PALLADIUM CATALYST COMPOSITION WAKO PURE CHEMICAL INDUSTIES L (JP) 2009-07-01 EP disclosed
US-20060019822-A1 Palladium catalyst composition JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-01-26 US disclosed
EP-1537913-A1 PALLADIUM CATALYST COMPOSITION Wako Pure Chemical Industies, Ltd. (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-20060019822-A1 Palladium catalyst composition ODC1, NUDC, ADH1C DHODH 1084/4885TSHR 4750/4885GABRA1 2734/4885

“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.