SCHEMBL2594345

SCHEMBL2594345

COC(=O)c1ccc(C=Cc2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.75
RARG P13631 7/20 0.75
RARA P10276 6/20 0.75
CYP3A4 P08684 3/20 0.49
PTPN1 P18031 1/20 0.49
RXRA P19793 6/20 0.47
RXRB P28702 4/20 0.47
RXRG P48443 4/20 0.47
VDR P11473 2/20 0.47
CYP26A1 O43174 3/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL4666958 1.00 RARB (0.75) RARBRARGRARACYP3A4PTPN1
SCHEMBL10844561 0.93 RARB (0.64) RARBRARGRARACYP3A4PTPN1
SCHEMBL10844563 0.93 RARB (0.64) RARBRARGRARACYP3A4PTPN1
SCHEMBL10846838 0.88 RARA (0.72) RARBRARGRARARXRARXRB
SCHEMBL10846840 0.88 RARA (0.72) RARBRARGRARARXRARXRB
SCHEMBL14159976 0.86 RARB (0.57) RARBRARGRARACYP3A4PTPN1
SCHEMBL14159896 0.86 RARB (0.57) RARBRARGRARACYP3A4PTPN1
SCHEMBL156460 0.86 RARB (1.00) RARBRARGRARACYP3A4RXRA
SCHEMBL10841477 0.86 RARB (1.00) RARBRARGRARACYP3A4RXRA
SCHEMBL10842924 0.85 RARB (0.55) RARBRARGRARACYP3A4PTPN1

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
WO-2011141928-A1 PROCESS FOR THE PREPARATION OF HIGHLY PURE BEXAROTENE IND-SWIFT LABORATORIES LIMITED (IN) 2011-11-17 WO disclosed
US-20090203720-A1 Methods for inhibiting cell growth ALLERGAN, INC. 2009-08-13 US disclosed
WO-2005046726-A2 COMBINATIONS FOR INHIBITING CELL GROWTH WHICH CONTAINS AN INHIBITOR OF HUMAN CK1 ALPHA ACTIVITY AND A RXR AGONIST ALLERGAN, INC. (US) 2005-05-26 WO disclosed
EP-0671005-A1 RXR HOMODIMER FORMATION AND BRIDGED BICYCLIC AROMATIC COMPOUNDS AND THEIR USE IN MODULATING GENE EXPRESSION LA JOLLA CANCER RESEARCH FOUNDATION (US) 1995-09-13 EP disclosed
US-4578498-A FOR SKIN DISORDERS; REDUCED TOXICITY BASF AKTIENGESELLSCHAFT (DE) 1986-03-25 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-20090203720-A1 Methods for inhibiting cell growth CSNK1G1, CSNK1A1, CSNK2A1 RARB 163/4885RARG 167/4885RARA 185/4885

“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.