SCHEMBL3189090

SCHEMBL3189090

Cc1cc(C(=O)NCc2ccccc2-c2ccc(C(C)(C)CCCCC(=O)N3CCOCC3)cc2O)c(C)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.38
ALPL P05186 1/20 0.38
HTT P42858 1/20 0.37
CNR1 P21554 7/20 0.37
CNR2 P34972 7/20 0.37
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
APOBEC3A P31941 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL3190077 0.87 ALPL (0.42) ALDH1A1PKMTDP1MAPTALPL
SCHEMBL3199031 0.86 ALDH1A1 (0.43) ALDH1A1MAPTHTTCNR1CNR2
SCHEMBL3180971 0.86 CNR1 (0.43) ALDH1A1TDP1CNR1CNR2RAB9A
SCHEMBL3190487 0.85 CNR1 (0.41) ALDH1A1TDP1CNR1CNR2RAB9A
SCHEMBL3191831 0.85 GFER (0.39) ALDH1A1TDP1MAPTCNR1CNR2
SCHEMBL3180149 0.84 RAB9A (0.38) ALDH1A1MAPTCNR1CNR2RAB9A
SCHEMBL13255043 0.84 POLB (0.37) ALDH1A1MAPTCNR1CNR2RAB9A
SCHEMBL3188763 0.84 CNR1 (0.37) ALDH1A1MAPTCNR1CNR2RAB9A
SCHEMBL3188874 0.84 LMNA (0.38) ALDH1A1TDP1MAPTCNR1CNR2
SCHEMBL13255045 0.84 CNR1 (0.36) ALDH1A1ALPLCNR1CNR2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 US claimed
US-20060074086-A1 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2006-04-06 US claimed
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE ADOLOR CORPORATION (US) 2010-07-01 US disclosed
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE ADOLOR CORPORATION (US) 2010-07-01 US disclosed
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 US disclosed
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 US disclosed
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 US disclosed
US-20060074086-A1 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2006-04-06 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-20060074086-A1 Phenyl derivatives and methods of use CNR2, CNR1, GPR119 ALDH1A1 2685/4885PKM 844/4885TDP1 1151/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 ALDH1A1 2685/4885PKM 844/4885TDP1 1151/4885

“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.