SCHEMBL62426

SCHEMBL62426

CCOCc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
ESR1 P03372 8/20 0.48
ESR2 Q92731 4/20 0.48
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
LTA4H P09960 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SHBG P04278 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
HSPD1 P10809 1/20 0.45
ADRB3 P13945 1/20 0.45
HTR2C P28335 1/20 0.45
HSPE1 P61604 1/20 0.45

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
SCHEMBL27980931 0.93 ESR1 (0.48) IDO1ESR1ESR2ADRA2AADORA3
SCHEMBL133476 0.89 TSHR (0.48) IDO1KDM4ECYP3A4CA2CA1
SCHEMBL8968734 0.89 IDO1 (0.46) IDO1ESR1ESR2ADRA2AADORA3
SCHEMBL13316188 0.89 IDO1 (0.46) IDO1ESR1ESR2ADRA2AADORA3
Hydroquinone SCHEMBL11209735 0.87 TSHR (0.56) IDO1ESR1ESR2SLC6A2SLC6A3
Hydroquinone SCHEMBL60032 0.84 LTA4H (0.52) ESR1ESR2ADRA2AADORA3TACR2
Hydroquinone SCHEMBL8536783 0.84 LTA4H (0.52) ESR1ESR2ADRA2AADORA3TACR2
Hydroquinone SCHEMBL925171 0.84 LTA4H (0.52) ESR1ESR2ADRA2AADORA3TACR2
Hydroquinone SCHEMBL11578828 0.84 IDO1 (0.62) IDO1ESR1ESR2ADRA2ASLC6A2
SCHEMBL62482 0.84 IDO1 (0.62) IDO1ESR1ESR2ADRA2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112194587-A Preparation method of chiral bisoprolol fumarate 江苏悦兴医药技术有限公司 2021-01-08 CN claimed
CN-111635389-A Hydrogen peroxide responsive compound for imaging and therapy and synthesis method thereof 中国人民解放军陆军军医大学 2020-09-08 CN claimed
WO-2013058816-A1 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A 2-AMINOPHENOL AND DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-04-25 WO claimed
EP-1969939-A2 Nematicidal compositions Devgen NV (BE) 2008-09-17 EP claimed
EP-1941799-A2 Nematicidal compositions Devgen NV (BE) 2008-07-09 EP claimed
US-20080146445-A1 Nematicidal Compositions DEVGEN NV (BE) 2008-06-19 US claimed
JP-8107781-A None JP disclosed
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-12-26 US disclosed
EP-4444095-A1 ARTHROPOD CONTROL COMPOSITIONS Firmenich SA (CH) 2024-10-16 EP disclosed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
EP-4431490-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
US-5952496-A Fungicidal compositions AMERICAN CYANAMID COMPANY (US) 1999-09-14 US disclosed
EP-0851881-A1 DISPERSIONS CONTAINING POLYURETHANES WITH CARBONYL GROUPS IN THE KETO FUNCTION BASF AKTIENGESELLSCHAFT (DE) 1998-07-08 EP disclosed
WO-1997011103-A1 DISPERSIONS CONTAINING POLYURETHANES WITH CARBONYL GROUPS IN THE KETO FUNCTION BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO disclosed
JP-H08107781-A IMPROVER FOR AROMA AND FLAVOR OR TOBACCO T HASEGAWA CO LTD 1996-04-30 JP disclosed
EP-0120463-B1 ANTHRAQUINONE DYES AND LIQUID CRYSTAL COMPOSITIONS INCLUDING THE SAME HITACHI, LTD. (JP) 1991-11-06 EP disclosed
US-4610804-A Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1986-09-09 US disclosed
EP-0120463-A2 Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1984-10-03 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-20080146445-A1 Nematicidal Compositions ACHE, DNPH1, NANP IDO1 920/4885ESR1 4454/4885ESR2 4630/4885
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 IDO1 584/4885ESR1 2029/4885ESR2 3415/4885

“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.