SCHEMBL6791052

SCHEMBL6791052

COc1ccc(CCC(C)(C)O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CA2 P00918 2/20 0.55
POLB P06746 1/20 0.54
CYP19A1 P11511 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
STAT3 P40763 1/20 0.54
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
MAPT P10636 1/20 0.53
AOC3 Q16853 1/20 0.51
KMT2A Q03164 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
KCNH2 Q12809 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL21443921 0.86 TAAR1 (0.65) CYP3A4
SCHEMBL762252 0.85 ATM (0.61) ATMKDM4ECA2POLBCYP19A1
SCHEMBL16114860 0.85 MAPT (0.47) ATMKDM4ECYP1A2CYP3A4MAPT
SCHEMBL5114907 0.81 CA2 (0.59) ATMKDM4ECA2POLBCYP19A1
SCHEMBL25272749 0.81 MRGPRX4 (0.50) KDM4EPOLB
SCHEMBL31006893 0.81 MRGPRX4 (0.50) KDM4EPOLB
SCHEMBL19719606 0.81 ATM (0.56) ATMKDM4ECA2POLBCYP19A1
SCHEMBL16641094 0.80 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1
SCHEMBL31157848 0.80 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1
SCHEMBL6791772 0.80 HTR2A (0.56) CA2CYP19A1CYP3A4MAPTAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828316-B2 Antiallergens KOWA CO., LTD. (JP) 2004-12-07 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
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 (1 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-20020042414-A1 Diamide compound and medicine containing the same HRH4, HRH2, HRH1 ATM 4878/4885KDM4E 562/4885CA2 40/4885

“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.