SCHEMBL6524744

SCHEMBL6524744

CC(=O)Oc1ccccc1-c1c[nH]cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.48
TSHR P16473 3/20 0.44
KDM4E B2RXH2 3/20 0.44
PTGS2 P35354 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44
BLM P54132 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43

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
SCHEMBL2096746 0.80 METAP2 (0.51) HSD17B10ALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL1950931 0.78 HTT (0.48) KDM4ETDP1LMNASMN1; SMN2MAPK1
SCHEMBL5322046 0.78 PDE5A (0.53) PDE5ATSHRKDM4EPTGS2HSD17B10
SCHEMBL8676653 0.77 PTGS2 (0.61) PDE5ATSHRKDM4EPTGS2HSD17B10
SCHEMBL4786157 0.77 KDM4E (0.33) KDM4EHPGDLMNASMN1; SMN2
SCHEMBL2096744 0.77 METAP2 (0.33) HSD17B10ALDH1A1HPGDGAAALOX15
SCHEMBL1502098 0.76 ALOX5AP (0.40) PDE5AHSD17B10ALOX15MEN1KMT2A
Benzene SCHEMBL27958568 0.76 GUSB (0.45) PDE5AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL1948580 0.75 IDO1 (0.42) CYP1A2CYP2C9MAOB
SCHEMBL1947684 0.75 SGMS2 (0.43) KDM4EALDH1A1HPGDLMNASMN1; SMN2

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-8575359-B2 Acid-sensitive linkers for drug delivery THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-05 US disclosed
US-20110053878-A1 ACID-SENSITIVE LINKERS FOR DRUG DELIVERY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-03 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-20110053878-A1 ACID-SENSITIVE LINKERS FOR DRUG DELIVERY CD44, MSN, ABCC1 PDE5A 4104/4885TSHR 3706/4885KDM4E 4043/4885

“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.