SCHEMBL2319949

SCHEMBL2319949

O=CCCc1ccnc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
CYP1A2 P05177 2/20 0.45
NCF1 P14598 1/20 0.44
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CASP1 P29466 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 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
SCHEMBL5191653 0.90 LOXL2 (0.51) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL5205163 0.88 LOXL2 (0.50) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL8534353 0.88 CYP19A1 (0.50) LOXL2CYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL3397178 0.81 LOXL2 (0.58) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL7747842 0.79 LOXL2 (0.60) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL6966651 0.79 LOXL2 (0.60) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL15453337 0.79 NR4A2 (0.49) CYP1A2KDM4EFLT1KDR
SCHEMBL30045799 0.78 CYP19A1 (0.48) LOXL2CYP1A2KDM4EALDH1A1SMN1; SMN2
SCHEMBL28179223 0.78 LOXL2 (0.50) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL10133342 0.77 LOXL2 (0.53) LOXL2CYP1A2NCF1HTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-06 US claimed
EP-2682399-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS Meiji Seika Pharma Co., Ltd. (JP) 2014-01-08 EP claimed
CN-103391944-A Novel macrolide intermediate and novel production process MEIJI SEIKA PHARMA CO LTD 2013-11-13 CN claimed
US-5939268-A DIELS-ALDER REACTION PRODUCT OF A DIENE AND A DIENOPHILE; CHEMICAL INTERMEDIATES FOR DRUGS, SOLID PHASE SYNTHESIS THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
EP-0773953-A1 COMBINATORIAL LIBRARIES OF MOLECULES AND METHODS FOR PRODUCING SAME THE SCRIPPS INSTITUTE (US) 1997-05-21 EP claimed
WO-1996003424-A1 COMBINATORIAL LIBRARIES OF MOLECULES AND METHODS FOR PRODUCING SAME THE SCRIPPS RESEARCH INSTITUTE (US) 1996-02-08 WO claimed
EP-2678349-B1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2016-01-13 EP disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 US disclosed
US-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-06 US disclosed
EP-2682399-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS Meiji Seika Pharma Co., Ltd. (JP) 2014-01-08 EP disclosed
EP-2678349-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-01 EP disclosed
CN-103492404-A C-4' substituted macrolide derivatives TAISHO PHARMACEUTICAL CO LTD 2014-01-01 CN disclosed
US-5656607-A Erythromycin derivatives ROUSSEL UCLAF (FR) 1997-08-12 US disclosed
EP-0773953-A1 COMBINATORIAL LIBRARIES OF MOLECULES AND METHODS FOR PRODUCING SAME THE SCRIPPS INSTITUTE (US) 1997-05-21 EP disclosed
CN-1126997-A Novel erythromycin derivatives, method for preparing same and use thereof as drugs ROUSSEL UCLAF (FR) 1996-07-17 CN disclosed
EP-0716093-A1 Erythromycin derivatives, their process of preparation and application as medicaments ROUSSEL UCLAF (FR) 1996-06-12 EP disclosed
WO-1996003424-A1 COMBINATORIAL LIBRARIES OF MOLECULES AND METHODS FOR PRODUCING SAME THE SCRIPPS RESEARCH INSTITUTE (US) 1996-02-08 WO disclosed
WO-1995027720-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS DRUGS ROUSSEL UCLAF (FR) 1995-10-19 WO disclosed
EP-0676409-A1 Erythromycin derivatives, their process for preparation and their application as medicaments ROUSSEL UCLAF (FR) 1995-10-11 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-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MRPL21, PIGS, CYP51A1 LOXL2 4157/4885CYP1A2 158/4885NCF1 2263/4885
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 LOXL2 4859/4885CYP1A2 1987/4885NCF1 2415/4885

“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.