SCHEMBL6890302

SCHEMBL6890302

C=C(c1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.69
HDAC3 O15379 1/20 0.69
HDAC4 P56524 1/20 0.69
HDAC1 Q13547 1/20 0.69
HDAC7 Q8WUI4 1/20 0.69
HDAC2 Q92769 1/20 0.69
HDAC10 Q969S8 1/20 0.69
HDAC11 Q96DB2 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
HDAC9 Q9UKV0 1/20 0.69
HDAC5 Q9UQL6 1/20 0.69
RARB P10826 8/20 0.62
RARG P13631 7/20 0.62
CYP26A1 O43174 6/20 0.62
RARA P10276 5/20 0.62
RXRB P28702 5/20 0.62
RXRG P48443 5/20 0.62
CYP26B1 Q9NR63 4/20 0.62
MEN1 O00255 3/20 0.62

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
SCHEMBL5534931 0.91 RXRA (0.72) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL727916 0.90 RXRA (0.70) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL6890868 0.90 RXRA (0.79) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL15961496 0.83 RXRA (0.67) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL5540268 0.82 RXRA (0.66) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL22560751 0.82 RXRA (0.81) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL14874175 0.82 RXRA (1.00) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL5540299 0.81 RXRA (0.69) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL8461304 0.80 RARA (0.78) RXRARARBRARGCYP26A1RARA
SCHEMBL9446600 0.80 RARA (0.78) RXRARARBRARGCYP26A1RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS UNIV CASE WESTERN RESERVE (US) 2014-08-21 US disclosed
WO-2013056232-A2 RXR AGONISTS COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2013-04-18 WO disclosed
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS LANDRETH GARY E (US) 2012-05-10 US disclosed
WO-2011006157-A2 RXR AGONIST COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2011-01-13 WO disclosed
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 US disclosed
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 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 (2 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-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG RXRA 1/4885HDAC3 890/4885HDAC4 850/4885
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG RXRA 1/4885HDAC3 373/4885HDAC4 1164/4885

“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.