SCHEMBL4645198

SCHEMBL4645198

COc1cc2c(c(OC)c1OC)C=C(/C=C/C(=O)O)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
ALDH1A1 P00352 7/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
HTR1A P08908 2/20 0.51
HTR2C P28335 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.41
PKM P14618 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 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
SCHEMBL5570694 1.00 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL6788079 0.85 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5569532 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10PTGS1
SCHEMBL5569531 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10PTGS1
SCHEMBL4644972 0.81 KMT2A (0.42) KDM4EPTGS2MEN1KMT2APOLB
SCHEMBL6787091 0.80 ATM (0.41) KDM4EALDH1A1SMN1; SMN2ALOX15MAPK1
SCHEMBL4269322 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL4269325 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL6783071 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10HTR1A
Pyrrolidine SCHEMBL4268541 0.73 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934924-B1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2008-08-13 EP disclosed
EP-1057815-B1 CYCLIC AMIDE COMPOUNDS KOWA CO (JP) 2007-09-05 EP disclosed
US-6828316-B2 Antiallergens KOWA CO., LTD. (JP) 2004-12-07 US disclosed
US-6645957-B2 Useful in preventing and treating allergic immunological diseases; treating asthma, atopic dermatitis, allergic rhinitis, inflammatory large bowel disease, contact dermatitis KOWA CO., LTD. (JP) 2003-11-11 US disclosed
US-6576642-B2 Inhibitors of the production of Ig E antibodies, antiallergens KOWA CO., LTD. (JP) 2003-06-10 US disclosed
US-20030096828-A1 Cyclic amide compound KOWA CO., LTD. (JP) 2003-05-22 US disclosed
US-6448242-B1 COMPOUND HAVING A STRONG INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY; ANTIALLERGENS KOWA CO., LTD. (JP) 2002-09-10 US disclosed
US-20020042414-A1 Diamide compound and medicine containing the same KOWA CO., LTD. (JP) 2002-04-11 US disclosed
US-6340682-B1 FOR THERAPY OF ALLERGIC IMMUNOLOGICAL DISEASE IS SELECTED FROM ASTHMA, ALLERGIC RHINITIS, INFLAMMATORY LARGE BOWEL DISEASE OR CONTACT DERMATITIS KOWA CO., LTD. (JP) 2002-01-22 US disclosed
US-20010039279-A1 Diamide compounds and compositions containing the same KOWA CO., LTD. (JP) 2001-11-08 US disclosed
US-6297283-B1 EXCELLENT INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY AND ARE HENCE USEFUL AS ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2001-10-02 US disclosed
EP-1057815-A1 CYCLIC AMIDE COMPOUNDS Kowa Co., Ltd. (JP) 2000-12-06 EP disclosed
EP-0934924-A1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-08-11 EP disclosed
EP-0926138-A1 DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-06-30 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 (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-20010039279-A1 Diamide compounds and compositions containing the same HRH4, HRH2, HRH1 KDM4E 721/4885ALDH1A1 1240/4885HPGD 1041/4885
US-20030096828-A1 Cyclic amide compound CMA1, HRH2, HRH4 KDM4E 218/4885ALDH1A1 2028/4885HPGD 1987/4885
US-20020042414-A1 Diamide compound and medicine containing the same HRH4, HRH2, HRH1 KDM4E 562/4885ALDH1A1 836/4885HPGD 884/4885

“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.