SCHEMBL4912178

SCHEMBL4912178

CCC(CC)(CC)OC(=O)c1ccc(B(O)O)c(OCOC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
TSHR P16473 2/20 0.36
HSD17B2 P37059 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33

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
SCHEMBL4904728 0.87 HSD17B2 (0.44) TSHRHSD17B2MAPK1KDM4EPOLB
SCHEMBL4909001 0.83 EGFR (0.39) EGFRTSHRHSD17B2MAPK1KDM4E
SCHEMBL4910061 0.81 LIPE (0.51) KDM4EPOLBHPGDMAPTHDAC6
SCHEMBL4912738 0.74 EGFR (0.49) EGFRPOLBTUBB4ATUBBTUBA3C
SCHEMBL14924819 0.73 LPL (0.40) EGFR
SCHEMBL4911692 0.71 HSD17B2 (0.46) TSHRHSD17B2MAPK1KDM4EPOLB
SCHEMBL26316395 0.70 ACHE (0.39) TSHRMAPK1KDM4EPOLBHPGD
SCHEMBL772019 0.70 ENPP2 (0.37) EGFRTSHRTUBB4ATUBBTUBA3C
SCHEMBL30995019 0.70 ACHE (0.39) TSHRMAPK1KDM4EPOLBHPGD
SCHEMBL5368592 0.69 CYP1A2 (0.45) MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 EGFR 1122/4885TSHR 1671/4885HSD17B2 110/4885

“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.