SCHEMBL16226344

SCHEMBL16226344

Cc1ccc(C(=O)/C=C\C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
MAPT P10636 7/20 1.00
HTT P42858 4/20 1.00
NPSR1 Q6W5P4 3/20 1.00
HPGD P15428 3/20 1.00
LMNA P02545 2/20 1.00
THRB P10828 2/20 1.00
PKM P14618 2/20 0.83
ATM Q13315 2/20 0.83
KMT2A Q03164 2/20 0.83
SMN1; SMN2 Q16637 2/20 0.83
NLRP1 Q9C000 1/20 0.83
MEN1 O00255 1/20 0.83
NTSR1 P30989 1/20 0.83
TDP1 Q9NUW8 1/20 0.83
CYP1B1 Q16678 1/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
POLB P06746 2/20 0.61
ALOX12 P18054 1/20 0.56

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
SCHEMBL711570 1.00 ALDH1A1 (1.00) ALDH1A1MAPTHTTNPSR1HPGD
SCHEMBL711571 1.00 ALDH1A1 (1.00) ALDH1A1MAPTHTTNPSR1HPGD
SCHEMBL28984937 0.91 ALDH1A1 (1.00) ALDH1A1MAPTHTTNPSR1HPGD
SCHEMBL10934752 0.89 MAPT (0.79) ALDH1A1MAPTHTTNPSR1HPGD
SCHEMBL11019485 0.89 ALDH1A1 (0.79) ALDH1A1MAPTHTTNPSR1HPGD
SCHEMBL10934745 0.89 MAPT (0.79) ALDH1A1MAPTHTTNPSR1HPGD
SCHEMBL11019488 0.89 ALDH1A1 (0.79) ALDH1A1MAPTHTTNPSR1HPGD
SCHEMBL10938343 0.88 ALDH1A1 (0.77) ALDH1A1MAPTHTTNPSR1HPGD
SCHEMBL10938338 0.88 ALDH1A1 (0.77) ALDH1A1MAPTHTTNPSR1HPGD
P-Xylene SCHEMBL6232601 0.86 ALDH1A1 (0.74) ALDH1A1MAPTHTTNPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 ALDH1A1 1004/4885MAPT 3619/4885HTT 3894/4885

“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.