SCHEMBL4989706

SCHEMBL4989706

CCOCC(O)COc1cc[c]c(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
VDR P11473 5/20 0.30
AR P10275 4/20 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
SCHEMBL9672090 0.68
SCHEMBL17036998 0.67 LMNA (0.56) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14822990 0.65 KDM4E (0.68) ALDH1A1SMN1; SMN2MEN1KMT2AALOX15
SCHEMBL9248709 0.64 HTT (0.61) TSHRALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL698450 0.63 KDM4E (0.46) TSHRALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL11959217 0.62 LMNA (0.58) TSHRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL25124050 0.62 ADRB2 (0.60) TSHRALDH1A1SMN1; SMN2TP53RAB9A
SCHEMBL11960667 0.62 MAPT (0.51) ALDH1A1SMN1; SMN2TP53MEN1KMT2A
SCHEMBL15677169 0.61 LMNA (0.55) TSHRALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL17083481 0.61 KDM4E (0.50) TSHRALDH1A1SMN1; SMN2NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214660-A1 Compounds and Methods for the Inhibition of the Expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2008-09-04 US disclosed
US-7375252-B2 Compounds and method for the inhibition of the expression of VCAM-1 ATHEROGENICS, INC. (US) 2008-05-20 US disclosed
US-7189870-B2 Compounds and methods for the inhibition of the expression of VCAM-1 ATHEROGENIC, INC. (US) 2007-03-13 US disclosed
US-20060058268-A1 Compounds and methods for treating diabetic vascular diseases CRABTREE ACQUISITION CO, LLC 2006-03-16 US disclosed
US-20050090487-A1 Compounds and methods for the inhibition of the expression of VCAM-1 ATHEROGENICS, INC. 2005-04-28 US 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 (3 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-20080214660-A1 Compounds and Methods for the Inhibition of the Expression of VCAM-1 VCAM1, ICAM1, SELL TSHR 4156/4885ALDH1A1 100/4885SMN1; SMN2 3786/4885
US-20060058268-A1 Compounds and methods for treating diabetic vascular diseases REN, SLC5A2, SLC5A1 TSHR 3773/4885ALDH1A1 246/4885SMN1; SMN2 496/4885
US-20050090487-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL TSHR 4156/4885ALDH1A1 100/4885SMN1; SMN2 3786/4885

“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.