SCHEMBL18177326

SCHEMBL18177326

COc1ccc(-c2ccc(CCC(=O)O)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
MAPT P10636 8/20 1.00
KDM4E B2RXH2 8/20 1.00
PKM P14618 4/20 1.00
DDAH1 O94760 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2C19 P33261 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
HSD17B10 Q99714 5/20 0.68
POLB P06746 4/20 0.68
HTT P42858 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
HPGD P15428 6/20 0.67
NPSR1 Q6W5P4 2/20 0.67
GFER P55789 1/20 0.67
TSHR P16473 1/20 0.67
PPARG P37231 1/20 0.67
NCOA2 Q15596 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
NCOR2 Q9Y618 1/20 0.67

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
SCHEMBL15213964 0.83 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EPKMDDAH1
SCHEMBL2466643 0.81 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EPKMDDAH1
SCHEMBL16921274 0.80 ALDH1A1 (0.73) ALDH1A1MAPTKDM4EPKMDDAH1
SCHEMBL28429884 0.80 ALDH1A1 (0.84) ALDH1A1MAPTKDM4EPKMDDAH1
SCHEMBL13680867 0.78 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPKMDDAH1
SCHEMBL1567653 0.76 KDM4E (0.61) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL805155 0.76 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EPKMCYP1A2
SCHEMBL4896906 0.74 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EPKMCYP1A2
SCHEMBL1566761 0.74 FFAR1 (0.73) ALDH1A1MAPTKDM4EPKMPOLB
SCHEMBL9254121 0.74 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EPKMDDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 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-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD ALDH1A1 54/4885MAPT 2722/4885KDM4E 1051/4885

“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.