SCHEMBL81497

SCHEMBL81497

OCCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.63
ALOX15 P16050 1/20 0.63
PNMT P11086 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
SIGMAR1 Q99720 12/20 0.52
IDO1 P14902 2/20 0.50
PYGL P06737 1/20 0.49
CYP1A2 P05177 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2D6 P10635 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TRPV1 Q8NER1 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
SCHEMBL9026682 0.94 IGF1R (0.67) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL8905783 0.92 IGF1R (0.65) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL7008253 0.92 IGF1R (0.65) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL10609252 0.92 IGF1R (0.65) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL908524 0.86 PNMT (0.61) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL1568422 0.82 IGF1R (0.44) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL82284 0.82 IGF1R (0.44) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL81132 0.82 IGF1R (0.44) IGF1RALOX15PNMTTAAR1ALDH1A1
SCHEMBL80687 0.82 IGF1R (0.44) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL4023057 0.81 SIGMAR1 (0.60) IGF1RALOX15PNMTTAAR1SIGMAR1

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234229-B2 Sphingosine kinase inhibitor amidoxime prodrugs UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-02-25 US disclosed
US-20230063230-A1 NURR1 RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-02 US disclosed
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-02-16 US disclosed
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-02-16 US disclosed
CN-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 CN disclosed
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs U niversity of Virginia Patent Foundation (US) 2021-11-23 US disclosed
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs U niversity of Virginia Patent Foundation (US) 2021-11-23 US disclosed
EP-3436451-B1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-09-29 EP disclosed
EP-3436451-B1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-09-29 EP disclosed
EP-3201181-B1 SPHINGOSINE KINASE INHIBITORS VIRGINIA TECH INTELLECTUAL PROPERTIES INC (US) 2020-12-02 EP disclosed
WO-1995005174-A1 ANTIPSYCHOTIC METHOD NOVO NORDISK A/S (DK) 1995-02-23 WO disclosed
WO-1994020495-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-09-15 WO disclosed
EP-0162208-B1 NOVEL N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1989-11-23 EP disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 US disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 EP disclosed
EP-0025192-B1 SUBSTITUTED OXIRANE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-05-11 EP disclosed
US-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US disclosed
EP-0025192-A2 Substituted oxirane carboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-03-18 EP disclosed
EP-0018144-A1 A process for the preparation of substituted 2-aminopyrazines ELI LILLY AND COMPANY (US) 1980-10-29 EP disclosed
EP-0017494-A2 Hydroxyimino-substituted aminoacetonitrile intermediates and their preparation ELI LILLY AND COMPANY (US) 1980-10-15 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 (4 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-12234229-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 IGF1R 1411/4885ALOX15 517/4885PNMT 1078/4885
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 IGF1R 1411/4885ALOX15 517/4885PNMT 1078/4885
US-20230063230-A1 NURR1 RECEPTOR MODULATORS NR2E3, NR4A2, NR0B1 IGF1R 242/4885ALOX15 2491/4885PNMT 307/4885
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 IGF1R 1411/4885ALOX15 517/4885PNMT 1078/4885

“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.