SCHEMBL8923623

SCHEMBL8923623

CC(C)(C)n1nnnc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.40
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 2/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
LMNA P02545 3/20 0.31
POLB P06746 1/20 0.31
FAAH O00519 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21341506 0.79 HDAC1 (0.36) HCAR3HDAC1HDAC6ALDH1A1MAPK1
SCHEMBL22402939 0.76 MAPK1 (0.42) HDAC1HDAC6ALDH1A1MAPK1LMNA
SCHEMBL16249204 0.71 TDP1 (0.47) ALDH1A1KDM4EMAPK1LMNAPOLB
SCHEMBL3671626 0.71
SCHEMBL8923370 0.71 HCAR3 (0.31) HCAR3
SCHEMBL29027809 0.70 ALDH1A1 (0.34) HCAR3ALDH1A1KDM4EGRNSORT1
SCHEMBL20128067 0.69 MAPK1 (0.33) ALDH1A1MAPK1FAAH
Ammonia Solution, Strong SCHEMBL4751250 0.69 LMNA (0.30) LMNA
SCHEMBL507145 0.67
SCHEMBL31402456 0.67

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-20170240586-A1 Benzoic Acid Derivatives of Bile Acid as FXR/TGR5 Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-08-24 US disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP 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-20170240586-A1 Benzoic Acid Derivatives of Bile Acid as FXR/TGR5 Agonists and Methods of Use Thereof GPBAR1, NR1H4, SLC10A1 HCAR3 58/4885HDAC1 1771/4885HDAC6 770/4885

“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.