SCHEMBL4640416

SCHEMBL4640416

COc1cc(C#CC(=O)O)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTR1A P08908 1/20 0.46
HPGD P15428 1/20 0.46
HTR2C P28335 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
TPMT P51580 1/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41

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
SCHEMBL15223812 0.85 ABCB1 (0.46) ABCB1KDM4EALDH1A1HTR1AHPGD
SCHEMBL28770454 0.85 PKM (0.53) CYP3A4MAPTTPMTGAAHTT
SCHEMBL2536982 0.83 CA12 (0.53) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL15222331 0.81 ABCB1 (0.46) ABCB1KDM4EALDH1A1HTR1AHPGD
SCHEMBL11753639 0.81 ABCB1 (0.46) ABCB1KDM4EALDH1A1HTR1AHPGD
SCHEMBL9192315 0.80 ALDH1A1 (0.50) ABCB1ALDH1A1HTR1AMAPTHTT
SCHEMBL11746694 0.79 HPGD (0.52) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL29411672 0.77 LMNA (0.44) TPMTHTTCA9
SCHEMBL18913777 0.77 LMNA (0.44) TPMTHTTCA9
SCHEMBL4642130 0.77 KMT2A (0.54) ABCB1KDM4EALDH1A1HTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111973586-A Application of 4-aryl coumarin compound 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2020-11-24 CN disclosed
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
US-4014899-A ANTIASTHMATIC AND ANTIALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed
US-3973030-A Antiasthmatic 5,6-benzoisoindoline compositions CIBA-GEIGY CORPORATION (US) 1976-08-03 US 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 ABCB1 257/4885KDM4E 721/4885ALDH1A1 1240/4885
US-20030096828-A1 Cyclic amide compound CMA1, HRH2, HRH4 ABCB1 943/4885KDM4E 218/4885ALDH1A1 2028/4885
US-20020042414-A1 Diamide compound and medicine containing the same HRH4, HRH2, HRH1 ABCB1 134/4885KDM4E 562/4885ALDH1A1 836/4885

“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.