SCHEMBL5409048

SCHEMBL5409048

C=CCNC(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1cc(OC)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.41
LPAR1 Q92633 3/20 0.40
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5406651 0.93 RAB9A (0.53) RAB9AMAPTKDM4ETDP1LPAR1
SCHEMBL5409220 0.91 TDP1 (0.48) RAB9AMAPTKDM4ETDP1PKM
SCHEMBL5407023 0.89 RAB9A (0.57) RAB9AMAPTKDM4ELPAR1HPGD
SCHEMBL5408490 0.88 RAB9A (0.48) RAB9AMAPTLPAR1CYP1A2ALDH1A1
SCHEMBL5407111 0.87 PLAAT3 (0.43) MAPTKDM4ELPAR1HPGDALDH1A1
SCHEMBL5409541 0.87 MAPT (0.56) MAPTCYP1A2HPGDHDAC1HDAC6
SCHEMBL5397739 0.87 RAB9A (0.53) RAB9AMAPTKDM4EHPGDHDAC1
SCHEMBL5409010 0.86 RAB9A (0.65) RAB9AMAPTKDM4EHPGDHDAC1
SCHEMBL5401081 0.85 RAB9A (0.43) RAB9AMAPTKDM4ETDP1CYP1A2
SCHEMBL5418554 0.85 TAS1R3 (0.46) RAB9AMAPTKDM4ETDP1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 EP 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB RAB9A 3132/4885CNR1 3335/4885CNR2 2993/4885

“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.