SCHEMBL2124474

SCHEMBL2124474

COc1c(I)cc(C(C)(OC)OC)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DHFR P00374 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.32
RARG P13631 1/20 0.32
RXRA P19793 1/20 0.32
PPARG P37231 1/20 0.32
TPMT P51580 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TNFRSF1A P19438 2/20 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
SCHEMBL6838138 0.87 RARG (0.39) PTGS2ALDH1A1TSHRTDP1DHFR
SCHEMBL1731694 0.79 DHFR (0.38) PTGS2ALDH1A1TSHRTDP1DHFR
SCHEMBL1190206 0.79 CA2 (0.38) PTGS2ALDH1A1TSHRTDP1DHFR
SCHEMBL2125454 0.79 PTGS2 (0.35) PTGS2ALDH1A1TSHRTDP1DHFR
SCHEMBL351682 0.77 PTGS2 (0.39) PTGS2ALDH1A1TSHRTDP1DHFR
SCHEMBL8247977 0.74 TPMT (0.41) TDP1CA1CA2RARGRXRA
SCHEMBL482603 0.74 DHFR (0.37) PTGS2ALDH1A1TSHRTDP1DHFR
SCHEMBL12678876 0.74 PTGS2 (0.40) PTGS2ALDH1A1TSHRTDP1DHFR
SCHEMBL2947022 0.72 PTGS2 (0.47) PTGS2ALDH1A1TSHRTDP1DHFR
SCHEMBL7878366 0.70 CACNA1H (0.36) TPMTCYP3A4

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
EP-2444393-A1 Methods for producing cyclic benzamidine derivatives Eisai R&D Management Co., Ltd. (JP) 2012-04-25 EP disclosed
WO-2011140936-A1 5,5-DISUBSTITUTED-2-IMINO-PYRROLIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF 上海恒瑞医药有限公司 (CN) 2011-11-17 WO disclosed
US-7375236-B2 Methods for producing cyclic benzamidine derivatives EISAI CO., LTD. (JP) 2008-05-20 US disclosed
US-7375236-B2 Methods for producing cyclic benzamidine derivatives EISAI CO., LTD. (JP) 2008-05-20 US disclosed
US-7375236-B2 Methods for producing cyclic benzamidine derivatives EISAI CO., LTD. (JP) 2008-05-20 US disclosed
US-20060058370-A1 Methods for producing cyclic benzamidine derivatives EISAI CO., LTD. (JP) 2006-03-16 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 (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-20060058370-A1 Methods for producing cyclic benzamidine derivatives DDC, DEK, HDHD5 PTGS2 4634/4885ALDH1A1 2242/4885TSHR 2967/4885

“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.