SCHEMBL6860976

SCHEMBL6860976

CC1(C)C2CC3CC(C2)CC1(C(=O)Cl)C3

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
EPHX1 P07099 3/20 0.35
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSD11B1 P28845 1/20 0.32
GLA P06280 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL5248488 0.83 THRB (0.36) GAAEPHX1EPHX2ALDH1A1HSD11B1
Hydrochloric Acid SCHEMBL27525501 0.81 THRB (0.35) GAAEPHX1EPHX2ALDH1A1HSD11B1
Bromide SCHEMBL27511892 0.81 THRB (0.35) GAAEPHX1EPHX2ALDH1A1HSD11B1
SCHEMBL6854374 0.81 EPHX1 (0.34) GAAEPHX1EPHX2ALDH1A1NPC1
SCHEMBL2849062 0.81 ALDH1A1 (0.39) GAAEPHX1EPHX2ALDH1A1TSHR
SCHEMBL5567370 0.78 EPHX2 (0.40) GAAEPHX1EPHX2ALDH1A1LMNA
SCHEMBL5616152 0.78 GAA (0.39) GAAEPHX1EPHX2ALDH1A1LMNA
SCHEMBL6854139 0.76 KMT2A (0.35) GAAEPHX2ALDH1A1LMNAHSD17B10
SCHEMBL4711516 0.75 THRB (0.34) GAAEPHX1EPHX2ALDH1A1HTT
Bicarbonate SCHEMBL27924222 0.72 THRB (0.35) GAAEPHX1EPHX2ALDH1A1NPC1

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-6794528-B2 HEAT RESISTANCE, FLAME RETARDERS, STABILIZERS; REACTING DIALCOHOL COMPOUND WITH A PHOSPHYL OXYCHLORIDE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-21 US disclosed
US-20030109736-A1 Phosphorus compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
EP-1277758-A1 PHOSPHORUS COMPOUND Daicel Chemical Industries, Ltd. (JP) 2003-01-22 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-20030109736-A1 Phosphorus compound NR4A1, POLL, NR0B1 GAA 4674/4885EPHX1 3912/4885EPHX2 3620/4885

“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.