SCHEMBL14919291

SCHEMBL14919291

CC(C)Oc1cc(Br)cc(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.34
HMGCR P04035 1/20 0.33
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGES O14684 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
SCHEMBL31291938 0.83 NOTUM (0.44) RORCRORBALDH1A1
SCHEMBL12127949 0.81 ALDH1A1 (0.38) RORCRORBGABRA1GRIN2DGRIN3B
SCHEMBL387559 0.81 ALDH1A1 (0.38) RORCRORBGABRA1GRIN2DGRIN3B
SCHEMBL27404530 0.79 NPC1 (0.38) GABRA1GABRB2ALDH1A1
SCHEMBL19294275 0.78 ALDH1A1 (0.44) NR1H4HMGCRGABRA1GABRB2ALDH1A1
SCHEMBL13172410 0.78 FFAR4 (0.35) NR1H4HMGCRGABRA1GABRB2GRIN2D
SCHEMBL12024763 0.78 CA1 (0.42) GABRA1GABRB2ALDH1A1
SCHEMBL7803069 0.77 KAT6A (0.36) NR1H4HMGCRGABRA1GABRB2GRIN2D
SCHEMBL13172494 0.77 NR1H4 (0.34) NR1H4HMGCRGABRA1GABRB2GRIN2D
SCHEMBL17204044 0.76 GABRA1 (0.39) RORCRORBGABRA1GRIN2DGRIN3B

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-20140275049-A1 SUBSTITUTED PYRAZOLE ANALOGS As RAR ANTAGONISTS ELI LILLY AND COMPANY 2014-09-18 US disclosed
WO-2013066640-A1 SUBSTITUTED PYRAZOLE ANALOGUES AS RAR ANTAGONISTS ELI LILLY AND COMPANY (US) 2013-05-10 WO 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-20140275049-A1 SUBSTITUTED PYRAZOLE ANALOGS As RAR ANTAGONISTS RARB, RARA, RARG NR1H4 94/4885HMGCR 3734/4885RORC 12/4885

“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.