SCHEMBL533913

SCHEMBL533913

CC(C)Oc1ccc2c[c]sc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.37
PARP10 Q53GL7 2/20 0.36
BRD4 O60885 1/20 0.36
BRPF1 P55201 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A3 P47895 1/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
MCL1 Q07820 1/20 0.33
GAA P10253 1/20 0.33
PARP15 Q460N3 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL533227 0.84 GPBAR1 (0.38) MAPT
SCHEMBL533424 0.83 ALOX15 (0.34) ALDH1A1KMT2AHPGDMAPTLMNA
SCHEMBL533355 0.83
SCHEMBL533031 0.80 CYP1A2 (0.45) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL533531 0.79 XDH (0.40) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL534075 0.76 KIF11 (0.35) HSD17B10TP53LMNASMN1; SMN2GAA
SCHEMBL533036 0.76 KMT2A (0.46) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL29629324 0.74 ALDH1A1 (0.54) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL22325682 0.74 ALDH1A1 (0.54) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL533171 0.74 NPC1 (0.31) HSD17B10TP53LMNASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 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 (3 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ALDH1A1 204/4885KMT2A 723/4885PARP10 954/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ALDH1A1 256/4885KMT2A 820/4885PARP10 996/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 ALDH1A1 377/4885KMT2A 3385/4885PARP10 3422/4885

“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.