SCHEMBL3463523

SCHEMBL3463523

CCOc1c[c]ccc1OC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 5/20 0.32
SHMT2 P34897 1/20 0.32
KDM4E B2RXH2 3/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
POLB P06746 2/20 0.31
NQO1 P15559 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL3086892 0.86 ADRA2A (0.32) ADRA2AADRA2BADRA2CALDH1A1KDM4E
SCHEMBL676940 0.85 ALDH1A1 (0.35) ADRA2AADRA2BADRA2CNPSR1ALDH1A1
SCHEMBL127280 0.85 ALDH1A1 (0.39) NPSR1ALDH1A1KDM4ETDP1MEN1
SCHEMBL3132186 0.84 MEN1 (0.35) ADRA2AADRA2BADRA2CNPSR1ALDH1A1
SCHEMBL3463138 0.81 ADRA2A (0.37) ADRA2AADRA2BADRA2CLMNATSHR
SCHEMBL159256 0.79 KDM4E (0.42) ALDH1A1KDM4EMAPTMAPK1TSHR
SCHEMBL542567 0.79 NPSR1 (0.35) NPSR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL2458322 0.79 NPSR1 (0.38) NPSR1ALDH1A1KDM4ELMNATDP1
SCHEMBL10492299 0.78 HTT (0.38) NPSR1ALDH1A1KDM4ETDP1MAPT
SCHEMBL16952206 0.78 ALDH1A1 (0.34) NPSR1ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US claimed
WO-2008107363-A1 NEW BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (DK) 2008-09-12 WO claimed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US claimed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 EP claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
WO-2008107363-A1 NEW BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (DK) 2008-09-12 WO disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
US-7273886-B2 For therapy and prophylaxis of clotting disorders; useful for inhibiting serine protease enzymes, such as TF/factor VIIa, factor Xa, thrombin and kallikrein GENENTECH, INC. (US) 2007-09-25 US disclosed
WO-2004113316-A1 BENZOFURAN INHIBITORS OF FACTOR VIIA GENENTECH, INC. (US) 2004-12-29 WO disclosed
US-20040242585-A1 Acylsulfamide inhibitors of factor VIIa GENENTECH, INC. 2004-12-02 US disclosed
US-20040235852-A1 Benzofuran inhibitors of factor VIIa GENENTECH, INC. 2004-11-25 US disclosed
US-20030212071-A1 Serine protease inhibitors GENENTECH, INC. 2003-11-13 US disclosed
US-6472393-B1 Serine protease inhibitors GENENTECH, INC. 2002-10-29 US disclosed
EP-1144373-A3 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2002-01-02 EP disclosed
EP-1144373-A2 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2001-10-17 EP disclosed
WO-2000041531-A2 SERINE PROTEASE INHIBITORS GENENTECH, INC. (US) 2000-07-20 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 (6 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-20030212071-A1 Serine protease inhibitors SERPINE1, SPINT2, TFPI ADRA2A 3974/4885ADRA2B 4136/4885ADRA2C 4429/4885
US-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 ADRA2A 668/4885ADRA2B 288/4885ADRA2C 690/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 ADRA2A 668/4885ADRA2B 288/4885ADRA2C 690/4885
US-20040235852-A1 Benzofuran inhibitors of factor VIIa TFPI, HABP2, SERPINE1 ADRA2A 3415/4885ADRA2B 3559/4885ADRA2C 4156/4885
US-20040242585-A1 Acylsulfamide inhibitors of factor VIIa TFPI, TFPI2, HABP2 ADRA2A 3166/4885ADRA2B 3490/4885ADRA2C 4373/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX ADRA2A 1038/4885ADRA2B 1321/4885ADRA2C 426/4885

“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.