SCHEMBL344331

SCHEMBL344331

CCCC(O)c1ccc2c(C(=O)OC)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ADRB2 P07550 4/20 0.39
ADRB1 P08588 4/20 0.39
ADRB3 P13945 4/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
DHODH Q02127 1/20 0.38
MAPT P10636 1/20 0.38
RIPK1 Q13546 1/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38

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
SCHEMBL344578 0.93 HDAC1 (0.43) PDE4BSCN9AALDH1A1HPGDNPSR1
SCHEMBL344965 0.85 PTPN1 (0.51) KDM4EALDH1A1HPGDKMT2AHDAC1
SCHEMBL10031665 0.82 UGT2B7 (0.47) PDE4BSCN9AKDM4EALDH1A1HPGD
SCHEMBL343404 0.78 PTPN1 (0.49) ALDH1A1HDAC1HDAC8
SCHEMBL3550245 0.77 CA12 (0.53) KDM4EALDH1A1GAAKMT2AADRB2
SCHEMBL345117 0.76 DHODH (0.50) PDE4BSCN9AKDM4EALDH1A1HPGD
SCHEMBL28509684 0.76 DPP4 (0.39) PDE4BKDM4EALDH1A1KMT2AADRB2
SCHEMBL28517699 0.76 DPP4 (0.39) PDE4BKDM4EALDH1A1KMT2AADRB2
SCHEMBL344926 0.76 DHODH (0.53) PDE4BSCN9AKDM4EALDH1A1HPGD
SCHEMBL10031664 0.75 MAPK1 (0.50) ALDH1A1KMT2AMAPT

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
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 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 (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-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PDE4B 18/4885SCN9A 2636/4885KDM4E 2429/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PDE4B 18/4885SCN9A 2636/4885KDM4E 2429/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PDE4B 18/4885SCN9A 2636/4885KDM4E 2429/4885

“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.