SCHEMBL3478078

SCHEMBL3478078

O=C1CCc2c(ccc3ccccc23)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.49
KDM4E B2RXH2 3/20 0.49
CYP1A2 P05177 3/20 0.49
HPGD P15428 2/20 0.49
CYP2C19 P33261 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GLA P06280 1/20 0.49
CYP2C9 P11712 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
CYP2A6 P11509 2/20 0.48
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 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
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
SCHEMBL27778037 0.91 HPRT1 (0.47) ANPEPKDM4ECYP1A2HPGDCYP2C19
SCHEMBL6565537 0.85 ANPEP (0.53) ANPEPKDM4ECYP1A2HPGDCYP2C19
SCHEMBL54652 0.80 ALDH1A1 (0.50) ANPEPKDM4ECYP1A2HPGDCYP2C19
SCHEMBL29481017 0.80 ALDH1A1 (0.50) ANPEPKDM4ECYP1A2HPGDCYP2C19
Quinoline SCHEMBL27580860 0.79 CYP3A4 (0.44) ANPEPKDM4ECYP1A2HPGDCYP2C19
Methacrylic Acid SCHEMBL28853798 0.79 ALDH1A1 (0.39) ANPEPKDM4ECYP1A2HPGDCYP2C19
SCHEMBL29811500 0.78 ANPEP (0.55) ANPEPKDM4ECYP1A2HPGDCYP2C19
SCHEMBL31274510 0.78 ANPEP (0.55) ANPEPKDM4ECYP1A2HPGDCYP2C19
SCHEMBL2535555 0.78 ANPEP (0.55) ANPEPKDM4ECYP1A2HPGDCYP2C19
SCHEMBL27566882 0.77 HPRT1 (0.47) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293927-B2 Efficient synthesis of morphine and codeine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-10-23 US claimed
WO-2010132570-A1 SYNTHESIS OF MORPHINE AND RELATED DERIVATIVES BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-18 WO claimed
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 US claimed
US-8450365-B2 Efficient synthesis of galanthamine BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-28 US disclosed
US-8362283-B2 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-29 US disclosed
US-8293927-B2 Efficient synthesis of morphine and codeine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-10-23 US disclosed
WO-2010132570-A1 SYNTHESIS OF MORPHINE AND RELATED DERIVATIVES BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-18 WO disclosed
US-20100292466-A1 Efficient Synthesis Of Galanthamine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 US disclosed
US-20100292489-A1 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 US disclosed
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 US disclosed
WO-2002053522-A2 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS I KARO BIO AB (SE) 2002-07-11 WO disclosed
CN-1022319-C 1, 2, 3, 4-tetrahydronaphthalene derivatives, process for their preparation and their use as medicaments MERRELL DOW PHARMA (US) 1993-10-06 CN disclosed
CN-1044460-A Novel 1,2,3,4-tetralin derivative MERRELL DOW PHARMA (US) 1990-08-08 CN 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-20100292466-A1 Efficient Synthesis Of Galanthamine GALR2, GALR1, OPRK1 ANPEP 1082/4885KDM4E 628/4885CYP1A2 140/4885
US-20100292489-A1 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods OPRK1, GALR2, OPRM1 ANPEP 1852/4885KDM4E 1151/4885CYP1A2 21/4885
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine OPRK1, OPRM1, OPRL1 ANPEP 1251/4885KDM4E 534/4885CYP1A2 101/4885

“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.