SCHEMBL5845014

SCHEMBL5845014

O=Cc1cccc2c1CCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
ERN1 O75460 4/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CYP2A6 P11509 1/20 0.34
CRHBP P24387 2/20 0.33

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
SCHEMBL6681140 0.95 KDM4E (0.38) KDM4ELMNAMEN1THRBBLM
SCHEMBL29386706 0.89 KDM4E (0.41) KDM4ELMNAMEN1THRBBLM
SCHEMBL6187776 0.89 KDM4E (0.41) KDM4ELMNAMEN1THRBBLM
SCHEMBL19739813 0.77 ERN1 (0.38) MTNR1AMTNR1BERN1CLK1DYRK1A
SCHEMBL19810357 0.77 ERN1 (0.36) MTNR1AMTNR1BERN1CLK1DYRK1A
SCHEMBL1253612 0.77 KDM4E (0.53) KDM4ELMNAMEN1THRBBLM
SCHEMBL6678740 0.76 MEN1 (0.37) KDM4ELMNAMEN1THRBBLM
SCHEMBL30718710 0.75 ERN1 (0.31) ERN1
SCHEMBL27143137 0.75 ERN1 (0.31) ERN1
SCHEMBL6271153 0.75 HTR2C (0.41) KDM4EITGB2ICAM1ITGALMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112041296-B Aminoacetamides containing benzooxy alicyclic structures and uses thereof 上海璃道医药科技有限公司 2023-12-29 CN disclosed
CN-112041296-A Aminoacetamides containing benzo-oxy-alicyclic structure and use thereof 上海璃道医药科技有限公司 2020-12-04 CN disclosed
CN-111714628-A Small molecule PD-1/PD-L1 inhibitor, pharmaceutical composition of small molecule PD-1/PD-L1 inhibitor and PD-L1 antibody and application of small molecule PD-1/PD-L1 inhibitor and pharmaceutical composition 上海再极医药科技有限公司 2020-09-29 CN disclosed
US-7115657-B2 Bifunctional agents possessing antioxidant and antiarrhythmic activity UNI-PHARMA KLEON TSETIS PHARMACEUTICAL LABORATORIES S.A. (GR) 2006-10-03 US disclosed
US-20040259763-A1 Bifunctional agents possessing antioxidant and antiarrhythmic activity UNI-PHARMA KLEON TSETIS PHARMACEUTICAL LABORATORIES S.A. (GR) 2004-12-23 US disclosed
EP-1027043-B1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-11-10 EP disclosed
EP-1301504-B1 BIFUNCTIONAL AGENTS POSSESSING ANTIOXIDANT AND ANTIARRHYTHMIC ACTIVITY UNI PHARMA KLEON TSETIS PHARMACEUTICAL LAB SA (GR) 2004-11-03 EP disclosed
EP-1027043-A4 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-02-20 EP disclosed
EP-1027043-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS Bristol-Myers Squibb Company (US) 2000-08-16 EP disclosed
US-6060506-A FOR TREATMENT OF SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-09 US disclosed
US-5981571-A USEFUL AS MELATONERGIC AGENTS IN THE TREATMENT OF SLEEP DISORDERS, SEASONAL DEPRESSION, SHIFTS IN CIRCADIAN CYCLES, MELANCHOLIA, STRESS, APPETITE REGULATION, BENIGN PROSTATIC HYPERPLASIA AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-09 US disclosed
US-5856529-A ADJUSTMENT OF NERVOUS SYSTEM, ENDOCRINE FUNCTION; REPRODUCTION, BODY WEIGHT AND METABOLISM BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-05 US disclosed
WO-1998025606-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-18 WO disclosed
EP-0043752-B1 PYRANOINDOLE DERIVATIVE AND PROCESS FOR ITS PREPARATION SOCIETE DE RECHERCHES INDUSTRIELLES S.O.R.I. Société anonyme dite: (FR) 1984-06-13 EP disclosed
EP-0043752-A1 Pyranoindole derivative and process for its preparation SOCIETE DE RECHERCHES INDUSTRIELLES S.O.R.I. Société anonyme dite: (FR) 1982-01-13 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 (1 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-20040259763-A1 Bifunctional agents possessing antioxidant and antiarrhythmic activity GPX4, GSR, GPX1 KDM4E 4543/4885LMNA 1688/4885MEN1 4378/4885

“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.