SCHEMBL344835

SCHEMBL344835

CCc1ccc2c(C(=O)Nc3cccc(OCC(=O)O)c3)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
KDR P35968 4/20 0.55
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
BRAF P15056 1/20 0.44

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
SCHEMBL345252 0.92 MAPK1 (0.54) MAPK1KDRPKMHTTMEN1
SCHEMBL343814 0.90 PPARA (0.54) MAPK1KDRPKMHTTMEN1
SCHEMBL345673 0.89 PPARA (0.58) MAPK1KDRPKMHTTSMN1; SMN2
SCHEMBL345013 0.88 PPARA (0.60) MAPK1PKMHTTSMN1; SMN2MEN1
SCHEMBL344565 0.88 PPARA (0.60) MAPK1PKMHTTSMN1; SMN2MEN1
SCHEMBL1696954 0.88 MAPK1 (0.59) MAPK1KDRPKMHTTSMN1; SMN2
SCHEMBL15417050 0.88 KDR (0.51) MAPK1KDRHTTSMN1; SMN2MEN1
SCHEMBL344529 0.85 MAPK1 (0.68) MAPK1PKMHTTSMN1; SMN2MEN1
SCHEMBL343934 0.85 THRB (0.56) MAPK1KDRPKMHTTMEN1
SCHEMBL345153 0.82 MAPK1 (0.50) MAPK1KDRPKMHTTMEN1

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 16 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-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
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-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 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-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 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-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 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
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
WO-2012003145-A2 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-05 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 (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 MAPK1 621/4885KDR 723/4885PKM 3946/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MAPK1 621/4885KDR 723/4885PKM 3946/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MAPK1 621/4885KDR 723/4885PKM 3946/4885

“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.