SCHEMBL2789404

SCHEMBL2789404

CC1(C)CCC(C)(C)c2cc(C(=O)OCCc3ccc([N+](=O)[O-])cc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP26B1 Q9NR63 3/20 0.44
CYP26A1 O43174 2/20 0.44
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
CYP3A4 P08684 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43

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
SCHEMBL2790410 0.85 NPC1 (0.58) RXRARXRBRXRGMAPTCYP26B1
SCHEMBL32684923 0.81 MEN1 (0.62) KCNJ1KCNH2ATML3MBTL1MAPT
SCHEMBL13411648 0.81 CYP26A1 (0.55) RXRARXRBRXRGMAPTALDH1A1
SCHEMBL13411688 0.80 CYP26A1 (0.54) RXRARXRBRXRGMAPTALDH1A1
SCHEMBL2789583 0.80 CYP26A1 (0.49) RXRARXRBRXRGALDH1A1MEN1
SCHEMBL13411654 0.79 CYP26A1 (0.53) RXRARXRBRXRGALDH1A1MEN1
SCHEMBL5083941 0.79 RXRA (0.66) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL13411655 0.78 CYP26A1 (0.52) RXRARXRBRXRGALDH1A1MEN1
SCHEMBL13411672 0.78 HPGD (0.50) RXRARXRBRXRGALDH1A1MEN1
SCHEMBL13411657 0.78 CYP26A1 (0.52) RXRARXRBRXRGMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 US claimed
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 US disclosed
EP-2102162-A1 PHENYLIC DERIVATIVES AND USE THEREOF AS DRUGS IPSEN PHARMA S.A.S. (FR) 2009-09-23 EP disclosed
WO-2008059128-A1 PHENYLIC DERIVATIVES AND USE THEREOF AS DRUGS IPSEN PHARMA S.A.S. (FR) 2008-05-22 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-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT CNR2, CNR1, TRPV1 KCNJ1 2340/4885KCNH2 1913/4885ATM 4407/4885

“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.