SCHEMBL4744355

SCHEMBL4744355

O=[C]OC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
ACP3 P15309 1/20 0.42
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CHRM1 P11229 1/20 0.40
CYP1A2 P05177 1/20 0.39
SRR Q9GZT4 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
NCOA1 Q15788 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MTNR1A P48039 1/20 0.37

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
SCHEMBL10701392 0.81 SLC6A2 (0.40) EPHX1ACP3SLC6A2SLC6A4SLC6A3
SCHEMBL8556445 0.80 PRSS1 (0.52)
SCHEMBL27372 0.78 LMNA (0.42) SLC6A4CYP1A2PKMSLC7A5ALDH1A1
SCHEMBL11480147 0.78 GSR (0.37) SLC6A4CYP1A2PKMSMN1; SMN2TAAR1
SCHEMBL11852683 0.78 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL971331 0.77 SLC6A2 (0.47) EPHX1ACP3SLC6A2SLC6A4SLC6A3
SCHEMBL3678018 0.76 TAAR1 (0.48) EPHX1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL734453 0.76 PBRM1 (0.41) SLC6A2SLC6A4CYP1A2PKMALDH1A1
SCHEMBL1432767 0.76 AOC3 (0.39) SLC6A2SLC6A4SLC6A3CHRM1CYP1A2
SCHEMBL9067637 0.74 EPHX1 (0.52) EPHX1ACP3CHRM1CYP1A2SRR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103768073-B There is the application in preparation antiviral drugs of the steroid derivative of double hydrazone structure 湖北省生物农药工程研究中心 2017-01-04 CN claimed
US-8969546-B2 Compounds useful in imaging and therapy THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2015-03-03 US claimed
US-20130211066-A1 COMPOUNDS USEFUL IN IMAGING AND THERAPY ALBERTA HEALTH SERVICES (CA) 2013-08-15 US claimed
US-11926633-B2 Synthesis methods for upadacitinib and intermediate thereof SUZHOU PENGXU PHARMATECH CO., LTD (CN) 2024-03-12 US disclosed
US-20210323971-A1 SYNTHESIS METHODS FOR UPADACITINIB AND INTERMEDIATE THEREOF SUZHOU PENGXU PHARMATECH CO., LTD (CN) 2021-10-21 US disclosed
CN-105001226-B Tricyclic heterocyclic compounds and JAK inhibitor 日产化学工业株式会社 2017-09-08 CN disclosed
CN-103732597-B Tricyclic heterocyclic compounds and JAK inhibitors 日产化学工业株式会社 2016-08-17 CN disclosed
CN-105001226-A Tricycle heterocyclic compounds and JAK inhibitors NISSAN CHEMICAL IND LTD 2015-10-28 CN disclosed
US-8969546-B2 Compounds useful in imaging and therapy THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2015-03-03 US disclosed
CN-103732597-A Tricyclic heterocyclic compounds and JAK inhibitors NISSAN CHEMICAL IND LTD 2014-04-16 CN disclosed
US-20130211066-A1 COMPOUNDS USEFUL IN IMAGING AND THERAPY ALBERTA HEALTH SERVICES (CA) 2013-08-15 US disclosed
EP-1751087-B1 LEVODOPA DERIVATIVES, AND COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2012-06-27 EP disclosed
WO-2011160216-A2 COMPOUNDS USEFUL IN IMAGING AND THERAPY THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2011-12-29 WO disclosed
WO-2008093960-A1 NOVEL DIPEPTIDYL PEPTIDASE-IV INHIBITORS LG LIFE SCIENCES, LTD. (KR) 2008-08-07 WO disclosed
EP-1131290-B1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
US-6342509-B1 ANTIASTHMATICS, ANTIHISTAMINES OR BRONCHODIALATORS SYNTEX (U.S.A.) LLC 2002-01-29 US disclosed
EP-1131290-A1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-12 EP disclosed
WO-2000031033-A1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-02 WO 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 (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-20210323971-A1 SYNTHESIS METHODS FOR UPADACITINIB AND INTERMEDIATE THEREOF JAK1, JAK3, JAK2 EPHX1 2345/4885ACP3 2229/4885SLC6A2 4683/4885
US-11926633-B2 Synthesis methods for upadacitinib and intermediate thereof JAK1, JAK3, JAK2 EPHX1 2345/4885ACP3 2229/4885SLC6A2 4683/4885
US-20130211066-A1 COMPOUNDS USEFUL IN IMAGING AND THERAPY PAICS, MPI, ALDOA EPHX1 4709/4885ACP3 3695/4885SLC6A2 2437/4885

“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.