SCHEMBL10015433

SCHEMBL10015433

CC(C)(C)c1cc(CC(O)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.47
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 3/20 0.38
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
HTR1D P28221 2/20 0.34
HTR1B P28222 1/20 0.34
BACE1 P56817 3/20 0.34
BCHE P06276 1/20 0.34
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7764606 0.84 HMGCR (0.50) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL20182218 0.81 HMGCR (0.47) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL6157363 0.80 HMGCR (0.46) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL9879684 0.79 HMGCR (0.53) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL962215 0.78 GABRA1 (0.52) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL6058033 0.78 KDM6B (0.47) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL16819804 0.78 IDO1 (0.38) HMGCRGABRA1GABRB2CYP2C19TSHR
SCHEMBL1652967 0.77 HMGCR (0.47) HMGCRGABRA1GABRB2RXRARXRB
Methane SCHEMBL27239080 0.77 KDM6B (0.46) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL7764667 0.76 HMGCR (0.50) HMGCRGABRA1GABRB2RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120025183-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KABUSHIKI KAISHA (JP) 2012-02-02 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-20120025183-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS ACE, ACE2, AGTR1 HMGCR 3466/4885GABRA1 1846/4885GABRB2 2875/4885

“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.