SCHEMBL3799233

SCHEMBL3799233

[CH2]c1c[nH]c2ccc(CC(=O)O)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.60
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 4/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TSHR P16473 4/20 0.49
LMNA P02545 2/20 0.49
NFKB1 P19838 2/20 0.49
PMP22 Q01453 2/20 0.49
GLA P06280 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RGS12 O14924 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
APEX1 P27695 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 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
SCHEMBL3799234 0.81 HPGD (0.60) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL4232312 0.78 KDM4E (0.57) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL17871978 0.78 ALDH1A1 (0.57) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL20424804 0.77 HTR2C (0.59) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL11163210 0.76 HTR1D (0.57) POLBHTR1DHTR1B
SCHEMBL9157585 0.76 HTR7 (0.66) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3796870 0.74 KDM4E (0.48) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL17871724 0.74 KDM4E (0.61) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL5327895 0.74 ALDH1A1 (0.51) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL27099115 0.73 ALDH1A1 (0.68) HPGDKDM4EALDH1A1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009051910-A1 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 WO claimed
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 US disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 US disclosed
WO-2009051910-A1 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 WO disclosed
WO-2009051909-A1 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR CELLULAR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 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-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof CFTR, ABCC5, ABCB11 HPGD 2059/4885KDM4E 3699/4885ALDH1A1 3083/4885

“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.