SCHEMBL4424615

SCHEMBL4424615

CC(=O)c1ccc2c(c1)C(C)(C)CC=C2C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
PGR P06401 1/20 0.43
HSD17B1 P14061 2/20 0.43
PDK2 Q15119 1/20 0.41
RARB P10826 9/20 0.40
RARA P10276 8/20 0.40
RARG P13631 8/20 0.40
S100A4 P26447 1/20 0.38
RXRA P19793 2/20 0.37
NR2E1 Q9Y466 1/20 0.37
KCNJ1 P48048 1/20 0.37
CYP2A6 P11509 1/20 0.37
RXRB P28702 1/20 0.36

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
SCHEMBL6292938 0.81 NPC1 (0.45) NPC1MAPTRAB9APGRHSD17B1
SCHEMBL3903931 0.80 RARB (0.60) RARBRARARARGRXRANR2E1
SCHEMBL6234465 0.79 RARB (0.58) RARBRARARARGRXRANR2E1
SCHEMBL5707339 0.77 RARB (0.59) NPC1MAPTRAB9APGRRARB
SCHEMBL7642223 0.76 RARA (0.61) RARBRARARARG
SCHEMBL6292978 0.76 NPC1 (0.38) NPC1MAPTRAB9APGRHSD17B1
SCHEMBL8125507 0.76 ALDH1A1 (0.42) NPC1MAPTRAB9APGRHSD17B1
SCHEMBL6086265 0.76 RXRA (0.51) RARBRARARARGRXRANR2E1
SCHEMBL8771833 0.75 RARB (0.52) RARBRARARARGRXRANR2E1
SCHEMBL8125508 0.75 KMT2A (0.40) NPC1MAPTRAB9APGRHSD17B1

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-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors ALLERGAN, INC. 2005-07-07 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 (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-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors RARG, RXRG, RARB NPC1 3809/4885MAPT 4165/4885RAB9A 3030/4885

“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.