SCHEMBL903597

SCHEMBL903597

O=C(O)CC1=C(C(=O)O)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CA2 P00918 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
CYP2C19 P33261 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
GAA P10253 2/20 0.30
HTT P42858 2/20 0.30
ABCC4 O15439 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
PTGS1 P23219 1/20 0.30
AKR1B1 P15121 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
SCHEMBL28717676 0.95 POLB (0.34) POLBCYP2C19AKR1B1
SCHEMBL9785266 0.86 POLB (0.32) POLBCA2CAMK2AAKR1B1
SCHEMBL10721635 0.83 POLB (0.39) POLBCA2CAMK2AGAAHTT
SCHEMBL28162379 0.83 NPSR1 (0.31)
SCHEMBL30060319 0.79 SLC6A3 (0.45) HTT
SCHEMBL2416551 0.77 ALDH1A1 (0.35) POLBHCAR2TSHR
SCHEMBL21174855 0.77 KDM4E (0.33) HCAR2GAA
SCHEMBL13086586 0.77 KDM4E (0.44) POLBCA2CYP2C19GAALMNA
SCHEMBL5605585 0.76 POLB (0.36) POLBCA2CAMK2AGAAHTT
SCHEMBL17024327 0.74 DHODH (0.41) HCAR2LMNATSHR

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-9266855-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2016-02-23 US disclosed
US-20160016932-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-21 US disclosed
WO-2012041814-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2012-04-05 WO disclosed
US-20120077840-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2012-03-29 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO disclosed
CN-1023054-C Oxo-1, 2-dihydroindene and tetrahydronaphthalene herbicide SHELL INT RESEARCH (NL) 1993-12-15 CN disclosed
EP-0275131-B1 HERBICIDAL OXOINDANES AND TETRAHYDRONAPHTHALENES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-09-23 EP disclosed
US-5053071-A For cereal crops E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-01 US disclosed
US-4948418-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES; WEED CONTROL, RICE, WHEAT, BARLEY, CORN, SOYBEANS, BEETS AND COTTON E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-14 US disclosed
US-4881967-A Heterocyclic 2,3-dihydrobenzofuran herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-21 US disclosed
EP-0275131-A1 Herbicidal oxoindanes and tetrahydronaphthalenes SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-07-20 EP disclosed
EP-0271170-A2 Herbicidal substituted benzofurans and benzopyrans SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-06-15 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-20160016932-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 POLB 2146/4885CA2 2896/4885CAMK2A 468/4885
US-20120077840-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 POLB 2146/4885CA2 2896/4885CAMK2A 468/4885
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 POLB 1458/4885CA2 3674/4885CAMK2A 4490/4885

“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.