SCHEMBL3021147

SCHEMBL3021147

COc1ccc2[nH]c(CC(=O)O)cc(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.61
GHSR Q92847 1/20 0.61
ALDH1A1 P00352 9/20 0.58
HPGD P15428 7/20 0.58
KDM4E B2RXH2 8/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
HSD17B10 Q99714 2/20 0.54
POLB P06746 2/20 0.53
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 4/20 0.51
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL3011498 0.84 GHSR (0.65) AKR1C2GHSRALDH1A1HPGDKDM4E
SCHEMBL7465079 0.83 KDM4E (0.60) AKR1C2GHSRALDH1A1HPGDKDM4E
SCHEMBL9183301 0.82 GHSR (0.71) GHSRALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL1331625 0.81 LOXL2 (0.63) AKR1C2ALDH1A1HPGDKDM4ENPC1
SCHEMBL13234528 0.81 GHSR (0.65) GHSRALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL29390774 0.81 LOXL2 (0.63) AKR1C2ALDH1A1HPGDKDM4ENPC1
SCHEMBL19211150 0.81 GHSR (0.65) GHSRALDH1A1HPGDKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL19211229 0.80 GHSR (0.64) GHSRALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL9452357 0.78 ALDH1A1 (0.63) AKR1C2GHSRALDH1A1HPGDKDM4E
SCHEMBL31587796 0.78 GHSR (0.90) GHSRALDH1A1HPGDKDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100196476-A1 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF FUNDACAO UNIVERSIDADE FEDERAL DE SAO CARLOS (BR) 2010-08-05 US disclosed
EP-2167468-A2 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF Fundação Universidade Federal De São Carlos (BR) 2010-03-31 EP disclosed
WO-2008144865-A2 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF FUNDAÇÃO UNIVERSIDADE FEDERAL DE SÃO CARLOS (BR) 2008-12-04 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-20100196476-A1 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF PF4, KCNQ1, KCNQ2 AKR1C2 1226/4885GHSR 4665/4885ALDH1A1 2185/4885

“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.