SCHEMBL7797975

SCHEMBL7797975

COc1cc2c(cc1C(=O)O)CCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
DHODH Q02127 3/20 0.48
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
Hydrochloric Acid SCHEMBL9141935 0.98 KDM4E (0.50) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL23090368 0.95 DHODH (0.53) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL7402508 0.85 DHODH (0.51) KDM4EALDH1A1HPGDDHODHHSD17B10
SCHEMBL9141930 0.84 DHODH (0.47) KDM4EALDH1A1HPGDDHODHHSD17B10
SCHEMBL23090366 0.80 DHODH (0.57) KDM4EALDH1A1HPGDDHODHALOX15
SCHEMBL2830233 0.80 LCK (0.72) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL819768 0.80 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL23105173 0.79 DHODH (0.52) KDM4EALDH1A1HPGDDHODHALOX15
SCHEMBL23090418 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL11494829 0.78 NPSR1 (0.43) KDM4EALDH1A1HPGDDHODHHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100381-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2022-12-14 EP disclosed
WO-2021158481-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-08-12 WO disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-09-27 US disclosed
EP-1025087-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-08-09 EP disclosed
WO-1999021836-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 WO disclosed
US-5418239-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-23 US disclosed
US-5264454-A Enzyme inhibitors, anticholesterol agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-11-23 US disclosed
EP-0481243-A1 Tricyclic heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-22 EP disclosed
EP-0020301-A1 Basically substituted phenols, process for their preparation, pharmaceutical preparations containing these compounds and their use CIBA-GEIGY AG (CH) 1980-12-10 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 (2 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-20180155333-A1 Heterocyclic Compound HCRTR1, HCRTR2, OXTR KDM4E 2226/4885ALDH1A1 500/4885HPGD 813/4885
US-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A KDM4E 910/4885ALDH1A1 494/4885HPGD 589/4885

“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.