SCHEMBL893710

SCHEMBL893710

O=C([CH]c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 6/20 0.61
MAOB P27338 4/20 0.61
MAPT P10636 3/20 0.61
RECQL P46063 2/20 0.61
PLIN1 O60240 1/20 0.61
LMNA P02545 1/20 0.61
BCHE P06276 1/20 0.61
TNFRSF1A P19438 1/20 0.61
ACHE P22303 1/20 0.61
PLIN5 Q00G26 1/20 0.61
ABHD5 Q8WTS1 1/20 0.61
ALDH1A1 P00352 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
MAPK1 P28482 1/20 0.58
AKT1 P31749 1/20 0.56
NFE2L2 Q16236 1/20 0.54
AKR1C1 Q04828 1/20 0.50
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 3/20 0.48
HSPD1 P10809 2/20 0.48

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
SCHEMBL4414022 0.85 MAPT (0.68) CYP1B1MAOBMAPTLMNAALDH1A1
SCHEMBL2794365 0.85 TNFRSF1A (0.53) CYP1B1MAOBMAPTRECQLPLIN1
SCHEMBL7448677 0.85 TNFRSF1A (0.53) CYP1B1MAOBMAPTRECQLPLIN1
SCHEMBL28162352 0.80 MAOB (0.47) CYP1B1MAOBMAPTRECQLPLIN1
SCHEMBL14855431 0.80 MAOB (0.61) CYP1B1MAOBMAPTALDH1A1AKR1C1
SCHEMBL28997601 0.80 TSHR (0.52) CYP1B1MAOBMAPTRECQLPLIN1
SCHEMBL8723038 0.80 MAOB (0.71) CYP1B1MAOBMAPTBCHETNFRSF1A
SCHEMBL3251236 0.80 CYP1A1 (0.71) CYP1B1MAPTLMNAALDH1A1KMT2A
SCHEMBL15112053 0.80 SMN1; SMN2 (0.54) MAOBMAPTALDH1A1KMT2AMEN1
Chalcone SCHEMBL28077984 0.79 CYP1B1 (0.96) CYP1B1MAOBMAPTRECQLPLIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3959208-B1 CYCLEN BASED COMPOUNDS, COORDINATION COMPOUNDS, PEPTIDES, PHARMACEUTICAL PREPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2023-07-05 EP claimed
US-20220218849-A1 CYCLEN BASED COMPOUNDS, COORDINATION COMPOUNDS, PEPTIDES, PHARMACEUTICAL PREPARATION, AND USE THEREOF Ustav Organicke Chemie A Biochemie AV CR v.v.i. (CZ) 2022-07-14 US claimed
EP-3362449-B1 SIBIRILINE DERIVATIVES FOR USE FOR PREVENTING AND/OR TREATING DISORDERS ASSOCIATED WITH CELLULAR NECROPTOSIS INST NAT SANTE RECH MED (FR) 2021-06-16 EP claimed
CN-110709486-B Adhesive articles and methods of making and using the same 3M创新有限公司 2021-04-16 CN claimed
WO-2020259726-A1 CYCLEN BASED COMPOUNDS, COORDINATION COMPOUNDS, PEPTIDES, PHARMACEUTICAL PREPARATION, AND USE THEREOF Ustav Organicke Chemie A Biochemie AV CR v.v.i. (CZ) 2020-12-30 WO claimed
EP-3757098-A1 CYCLEN BASED COMPOUNDS, COORDINATION COMPOUNDS, PEPTIDES, PHARMACEUTICAL PREPARATION, AND USE THEREOF Ustav Organicke Chemie a Biochemie AV CR, v.v.i. (CZ) 2020-12-30 EP claimed
US-10426758-B2 Sibiriline derivatives for use for preventing and/or treating disorders associated with cellular necroptosis INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2019-10-01 US claimed
US-20180325876-A1 Sibiriline Derivatives For Use For Preventing And/Or Treating Disorders Associated With Cellular Necroptosis INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2018-11-15 US claimed
EP-3362449-A1 SIBIRILINE DERIVATIVES FOR USE FOR PREVENTING AND/OR TREATING DISORDERS ASSOCIATED WITH CELLULAR NECROPTOSIS Institut National de la Sante et de la Recherche Medicale (INSERM) (FR) 2018-08-22 EP claimed
CN-105949141-B A kind of method for preparing SC 69124 intermediate 姚美艳 2018-07-03 CN claimed
EP-0246982-B1 TRIAZOLE OR IMIDAZOLE AND TETRAHYDROFURAN COMPOUNDS, THEIR USE AS FUNGICIDES AND PREPARATION PROCESSES RHONE-POULENC AGROCHIMIE (FR) 1993-02-03 EP claimed
EP-0279239-B1 MICROBICIDES CIBA-GEIGY AG (CH) 1992-11-11 EP claimed
WO-1992014736-A1 HERBICIDAL PYRONES DUNLENA PTY. LIMITED (AU) 1992-09-03 WO claimed
EP-0279239-A1 Microbicides CIBA-GEIGY AG (CH) 1988-08-24 EP claimed
US-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 US claimed
EP-0039903-B1 8-SUBSTITUTED PYRROLIZIDINES AND QUATERNARY AMMONIUM SALTS THEREOF SUNTORY KABUSHIKI KAISHA (JP) 1986-04-09 EP claimed
EP-0039903-A2 8-Substituted pyrrolizidines and quaternary ammonium salts thereof SUNTORY KABUSHIKI KAISHA (JP) 1981-11-18 EP claimed
US-4103086-A 8-Oxo-4-thia-1-azabicyclo (4.2.0)-oct-2-ene derivatives SMITHKLINE CORPORATION (US) 1978-07-25 US claimed
US-4000154-A 3-Substituted-6β-(amino- and acylamino)-7-oxo-1,3-diazabicyclo[3.2.0]-h SMITHKLINE CORPORATION (US) 1976-12-28 US claimed
US-3936447-A 7-Acylamino-desacetoxy-cephalosporanic acid esters and their production BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US claimed

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-20180325876-A1 Sibiriline Derivatives For Use For Preventing And/Or Treating Disorders Associated With Cellular Necroptosis RIPK3, MLKL, PARK7 CYP1B1 4630/4885MAOB 2412/4885MAPT 285/4885
US-20220218849-A1 CYCLEN BASED COMPOUNDS, COORDINATION COMPOUNDS, PEPTIDES, PHARMACEUTICAL PREPARATION, AND USE THEREOF CCNY, CCNC, CPN1 CYP1B1 1780/4885MAOB 2855/4885MAPT 4532/4885
US-10426758-B2 Sibiriline derivatives for use for preventing and/or treating disorders associated with cellular necroptosis RIPK3, MLKL, PARK7 CYP1B1 4630/4885MAOB 2412/4885MAPT 285/4885

“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.