SCHEMBL4513447

SCHEMBL4513447

CC(=O)Nc1cc(CCC(=O)O)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
APOBEC3A P31941 1/20 0.54
GFER P55789 1/20 0.54
HDAC1 Q13547 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PHPT1 Q9NRX4 1/20 0.50
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
PTGS1 P23219 1/20 0.47
BLM P54132 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47
IAPP P10997 2/20 0.45

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
SCHEMBL14354734 0.85 CNR1 (0.53) KDM4EAPOBEC3AGFERHDAC1APOBEC3G
SCHEMBL22039790 0.84 RAB9A (0.50) HDAC1SMN1; SMN2NPC1RAB9AFFAR1
SCHEMBL13754306 0.81 POLB (0.54) KDM4EAPOBEC3AGFERHDAC1APOBEC3G
SCHEMBL13175172 0.81 POLB (0.54) KDM4EAPOBEC3AGFERHDAC1APOBEC3G
SCHEMBL11619132 0.80 KDM4E (0.47) KDM4EAPOBEC3AGFERHDAC1APOBEC3G
SCHEMBL4515340 0.80 HDAC1 (0.60) HDAC1ALOX15MAPK1GAAHPSE
SCHEMBL11247792 0.79 KDM5A (0.55) ALOX15MAPK1IAPPFFAR1ADRA1A
SCHEMBL8787958 0.79 POLB (0.51) KDM4EAPOBEC3AGFERHDAC1APOBEC3G
SCHEMBL6222673 0.78 POLB (0.44) KDM4EAPOBEC3AGFERHDAC1APOBEC3G
Hydrochloric Acid SCHEMBL11670706 0.78 ADRA2B (0.52) KDM4EAPOBEC3AGFERHDAC1APOBEC3G

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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
WO-2008022462-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2008-02-28 WO disclosed
WO-2008022462-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2008-02-28 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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 KDM4E 3382/4885APOBEC3A 3723/4885GFER 2383/4885

“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.