SCHEMBL63777

SCHEMBL63777

Oc1ccc(CSCc2ccc(O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.55
ESR2 Q92731 2/20 0.55
ABAT P80404 1/20 0.50
CA2 P00918 4/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
BLM P54132 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
CA12 O43570 1/20 0.47
GMNN O75496 1/20 0.47
CA1 P00915 1/20 0.47
LMNA P02545 1/20 0.47
CA3 P07451 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
TYR P14679 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL31676929 0.97 ESR1 (0.52) ESR1ESR2ABATCA2KDM4E
SCHEMBL760351 0.90 IDO1 (0.55) ESR1ESR2CA2NPC1CA12
Hydrochloric Acid SCHEMBL31475280 0.88 IDO1 (0.53) ESR1ESR2CA2NPC1CA12
SCHEMBL76073 0.88 ACHE (0.59) ESR1ESR2KDM4EALDH1A1BLM
SCHEMBL10589402 0.85 ESR1 (0.46) ESR1ESR2ABATCA2KDM4E
SCHEMBL8406865 0.82 CALM1 (0.63) ESR1ESR2NPC1MAPTRAB9A
SCHEMBL8984986 0.82 ESR1 (0.55) ESR1ESR2ABATCA2KDM4E
SCHEMBL20357502 0.79 CYP2C19 (0.69) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL8585678 0.79 CYP1A2 (0.52) ESR1ESR2KMT2AMEN1NPC1
SCHEMBL45130 0.79 ESR1 (0.41) ESR1ESR2ABATCA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110156835-B Acyl phosphine oxide-4-hydroxyphenyl sulfonium salt-containing compound and preparation method and application thereof 同济大学 2021-06-08 CN claimed
US-7351434-B2 Therapeutic Gastrodia extracts ACADEMIA SINICA (TW) 2008-04-01 US claimed
US-20070237840-A1 Administering bis(4-hydroxybenzyl)sulfide for therapy of Huntington's disease ACADEMIA SINICA (TW) 2007-10-11 US claimed
JP-8188570-A None JP disclosed
US-20250352606-A1 Pharmaceutical Composition for Promoting Neurogenesis and Method of Utilizing Gastrodia Elata Extract or Adenosine Analog for Promoting Neurogenesis AXR PHARMA INC (TW) 2025-11-20 US disclosed
US-20250152601-A1 Compositions and Methods for the Treatment of Sexual Dysfunctions THE JONATHAN HURT LIVING TRUST (US) 2025-05-15 US disclosed
WO-2023249498-A1 METHODS FOR MODIFYING MICROBES LINCOLN UNIVERSITY (NZ) 2023-12-28 WO disclosed
CN-112190570-B Application of gastrodia tuber source derivative in preparing medicine for treating acute or chronic pain 中国医学科学院药物研究所 2023-05-05 CN disclosed
CN-112190571-B Application of gastrodia tuber source derivative in preparing medicine for treating inflammatory bowel disease 中国医学科学院药物研究所 2023-05-05 CN disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
CN-112961085-B LED excitable intramolecular sensitization type sulfonium salt compound and preparation method and application thereof 同济大学 2022-02-01 CN disclosed
US-5152807-A Discoloration inhibition EXXON CHEMICAL PATENTS INC. (US) 1992-10-06 US disclosed
EP-0428973-A1 Mixtures of stabilisers for elastomers CIBA-GEIGY AG (CH) 1991-05-29 EP disclosed
EP-0391735-A1 Fuel oil compositions EXXON CHEMICAL PATENTS INC. (US) 1990-10-10 EP disclosed
EP-0388236-A1 Fuel oil compositions EXXON CHEMICAL PATENTS INC. (US) 1990-09-19 EP disclosed
EP-0385778-A1 Fuel oil compositions EXXON CHEMICAL PATENTS INC. (US) 1990-09-05 EP disclosed
US-4298520-A PHOSPHITES OR PHOSPHATES ARGUS CHEMICAL CORP. (US) 1981-11-03 US disclosed
US-4293472-A O-ALKYLHYDROXYBENZYLPROPANE-1,3-DIOL ESTERS CONTAINING SULFIDE GROUPS ADEKA ARGUS CHEMICAL CO., LTD. 1981-10-06 US disclosed
US-4171298-A SUBSTITUTED ORTHO-ALKYLHYDROXYBENZYLPROPANE-1,3-DIOL ESTERS ARGUS CHEMICAL CORPORATION (US) 1979-10-16 US disclosed
US-4025399-A ELECTRICAL, RECORDING LAYER WITH A CONDUCTIVE AGENT, A LEUCO BASE AND A PHENOLIC RESIN CANON KABUSHIKI KAISHA (JA) 1977-05-24 US 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-20070237840-A1 Administering bis(4-hydroxybenzyl)sulfide for therapy of Huntington's disease HTT, SNCA, SLC2A4 ESR1 3557/4885ESR2 2970/4885ABAT 42/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 ESR1 2621/4885ESR2 3232/4885ABAT 4359/4885

“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.