SCHEMBL994781

SCHEMBL994781

O=C1C=Cc2ccc3ccccc3c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.47
ANPEP P15144 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
CYP2C9 P11712 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PAX8 Q06710 1/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39

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
Hydrochloric Acid SCHEMBL25188850 0.98 CES1 (0.46) CES1ANPEPKDM4ECYP1A2HPGD
SCHEMBL30783256 0.91 HPRT1 (0.47) CES1ANPEPKDM4ECYP1A2HPGD
SCHEMBL16337407 0.91 HPRT1 (0.47) CES1ANPEPKDM4ECYP1A2HPGD
SCHEMBL29906430 0.76 GAA (0.40) CES1ANPEPKDM4ECYP1A2HPGD
SCHEMBL29699581 0.73 GSK3A (0.31) GSK3AGSK3B
SCHEMBL29399101 0.71 HSD17B10 (0.44) CES1KDM4ECYP1A2HPGDCYP2C19
SCHEMBL2290546 0.71 HSD17B10 (0.44) CES1KDM4ECYP1A2HPGDCYP2C19
SCHEMBL1505694 0.70 ANPEP (0.41) CES1ANPEPHSD17B10ALDH1A1PAX8
SCHEMBL10980592 0.70 ERN1 (0.39) KDM4EHPGDHSD17B10GLAALDH1A1
SCHEMBL9350114 0.70 KDM4E (0.39) ANPEPKDM4ECYP1A2HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110769832-B Use of 20-hydroxyecdysone and derivatives thereof in myopathy treatment 比奥菲蒂斯公司 2023-08-01 CN claimed
CN-115776892-A Botanical ecdysone and derivatives thereof for use in the treatment of respiratory dysfunction caused by viral infection 比奥菲蒂斯公司 2023-03-10 CN claimed
EP-4125922-A1 PHYTOECDYSONES AND DERIVATIVES THEREOF FOR USE IN TREATING DISORDERED RESPIRATORY FUNCTION ON VIRAL INFECTION Biophytis (FR) 2023-02-08 EP claimed
CN-110198949-B Process for the preparation of 9 beta, 10 alpha-progesterone (retroprogesterone) 工业化学有限公司 2022-05-10 CN claimed
EP-3937948-A1 PHYTOECDYSONES AND THE DERIVATIVES THEREOF FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES Biophytis (FR) 2022-01-19 EP claimed
EP-3937949-A1 PHYTOECDYSONES AND THE DERIVATIVES THEREOF FOR USE IN THE TREATMENT OF IMPAIRED LUNG FUNCTION Biophytis (FR) 2022-01-19 EP claimed
EP-3758709-A1 PHYTOECDYSONES FOR USE IN THE PREVENTION OF MUSCLE STRENGTH LOSS DURING IMMOBILISATION Biophytis (FR) 2021-01-06 EP claimed
WO-2020187678-A1 PHYTOECDYSONES AND THE DERIVATIVES THEREOF FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES BIOPHYTIS (FR) 2020-09-24 WO claimed
WO-2020187679-A1 PHYTOECDYSONES AND THE DERIVATIVES THEREOF FOR USE IN THE TREATMENT OF IMPAIRED LUNG FUNCTION BIOPHYTIS (FR) 2020-09-24 WO claimed
EP-3615035-A1 USE OF 20-HYDROXYECDYSONE AND THE DERIVATIVES THEREOF IN THE TREATMENT OF MYOPATHIES Biophytis (FR) 2020-03-04 EP claimed
EP-2527345-B1 Therapeutic pyrazolyl thienopyridines THESAN PHARMACEUTICALS INC (US) 2015-12-16 EP claimed
EP-2688570-B1 6-SUBSTITUTED ESTRADIOL DERIVATIVES FOR USE IN REMYELINATION OF NERVE AXONS ENDECE LLC (US) 2015-11-18 EP claimed
WO-2014089904-A1 TRIAZINONE COMPOUNDS ABBVIE INC. (US) 2014-06-19 WO claimed
EP-2507253-A2 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE Endece, LLC (US) 2012-10-10 EP claimed
WO-2011066542-A2 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE INC. (US) 2011-06-03 WO claimed
US-20260083755-A1 TESTOSTERONE CONTAINING PHARMACEUTICAL COMPOSITION Neurocrine UK Limited (GB) 2026-03-26 US disclosed
CN-120152967-A Bifunctional compounds containing 2, 5-substituted pyrimidine derivatives for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 霖康疗法公司 2025-06-13 CN disclosed
EP-1399406-B1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS I KAROBIO AB (SE) 2005-08-10 EP disclosed
WO-2002053522-A2 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS I KARO BIO AB (SE) 2002-07-11 WO disclosed
EP-0090516-B1 SUBSTITUTED HEXAHYDROPYRROLO(1,2-A)-QUINOLINE, HEXAHYDRO-1H-PYRIDO(1,2-A)-QUINOLINE, HEXAHYDROBENZO(3)INDENE AND OCTAHYDROPHENANTHRENE CNS AGENTS PFIZER INC. (US) 1988-07-06 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-20260083755-A1 TESTOSTERONE CONTAINING PHARMACEUTICAL COMPOSITION SHBG, TES, CYP17A1 CES1 418/4885ANPEP 2469/4885KDM4E 2293/4885

“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.