SCHEMBL4049465

SCHEMBL4049465

CCC(CC)C(c1ccc(NC(=O)C(O)c2ccc(Cl)cc2)cc1)n1cncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 5/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C8 P10632 1/20 0.47
CYP26B1 Q9NR63 1/20 0.47
CYP19A1 P11511 4/20 0.42
FFAR2 O15552 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ROCK2 O75116 1/20 0.36
ADRB2 P07550 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4050413 0.82 CYP26A1 (0.53) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4047735 0.81 CYP26A1 (0.51) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4050320 0.73 ATM (0.47) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4985520 0.71 CYP26A1 (0.53) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4054105 0.70 CYP26A1 (0.52) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL31202574 0.70 EPHX1 (0.53) FFAR2MEN1KMT2APOLBNPSR1
SCHEMBL30067034 0.70 POLB (0.49) CYP3A4CYP19A1MEN1KMT2APOLB
SCHEMBL11085662 0.69 CYP3A4 (0.59) CYP26A1CYP3A4CYP19A1MEN1KMT2A
SCHEMBL4056162 0.69 CYP26A1 (0.43) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL7942524 0.68 MEN1 (0.62) CYP3A4CYP19A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579352-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-25 US disclosed
US-20080058334-A1 Retinoic Acid Mimetic Anilides MABIRE DOMINIQUE 2008-03-06 US disclosed
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES MABIRE DOMINIQUE 2007-05-10 US disclosed
US-7179825-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 US disclosed
US-6936626-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-30 US disclosed
US-20050165018-A1 Retinoic acid mimetic anilides MABIRE DOMINIQUE (FR) 2005-07-28 US disclosed
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP disclosed
US-20020115653-A1 Retinoic acid mimetic anilides MABIRE DOMINIQUE (FR) 2002-08-22 US disclosed
US-6319939-B1 P-(HETEROCYCLIC METHYL)-SUBSTUTED ANILIDES ARE POTENT INHIBITORS OF THE RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 2001-11-20 US disclosed
EP-1037880-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 2000-09-27 EP disclosed
WO-1999029674-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 1999-06-17 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 (4 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-20020115653-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CYP26A1 28/4885CYP3A4 311/4885CYP2C9 335/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CYP26A1 27/4885CYP3A4 270/4885CYP2C9 286/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG CYP26A1 31/4885CYP3A4 285/4885CYP2C9 326/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG CYP26A1 27/4885CYP3A4 270/4885CYP2C9 286/4885

“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.