Sugi Predict

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SCHEMBL4258520

SCHEMBL4258520

CC1(C)C=C(c2cc3c(cc2N2CCNCC2)OCO3)CC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13806132 0.82 ADRA1D (0.39) ALDH1A1LMNAKMT2ATSHR
Hydrochloric Acid SCHEMBL4253182 0.81 ADRA1D (0.39) ALDH1A1LMNAKMT2ATSHR
SCHEMBL4254415 0.80 ADRA1D (0.38) CYP1A2CYP3A4CYP2D6MEN1LMNA
SCHEMBL13806135 0.80 ADRA1D (0.34) —
Hydrochloric Acid SCHEMBL4249829 0.79 ADRA1D (0.38) CYP1A2CYP3A4CYP2D6MEN1LMNA
Hydrochloric Acid SCHEMBL4255106 0.79 ADRA1D (0.34) —
SCHEMBL14300616 0.79 ADRA1D (0.37) MEN1KMT2A
SCHEMBL4849563 0.76 HTR7 (0.51) LMNACYP2C19ADRB1
SCHEMBL4257540 0.75 HTR3A (0.49) ADRB1
SCHEMBL4860347 0.75 LGMN (0.40) ALDH1A1ADRB1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 — — US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 — — US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 — — US disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 — — EP disclosed
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives EISAI R&D MANAGEMENT CO., LTD. 2006-12-14 — — US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 — — 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 ALDH1A1 305/4885CYP1A2 1713/4885CYP3A4 2792/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 ALDH1A1 309/4885CYP1A2 1169/4885CYP3A4 2095/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 ALDH1A1 617/4885CYP1A2 1170/4885CYP3A4 2694/4885

“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.