SCHEMBL18089529

SCHEMBL18089529

COC(=O)c1ccc(OCCCCCO)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
PRSS1 P07477 4/20 0.57
SMPD1 P17405 4/20 0.55
MGLL Q99685 1/20 0.53
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
MAOB P27338 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50

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
SCHEMBL15595698 0.94 MAPT (0.60) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL31238673 0.94 SMPD1 (0.54) MAPTPRSS1SMPD1MGLLHDAC6
SCHEMBL5767014 0.94 MAPT (0.64) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL15574247 0.90 MAPT (0.62) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL2149738 0.90 MAPT (0.66) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL29171438 0.89 SMPD1 (0.67) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL29171419 0.89 SMPD1 (0.67) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL29171445 0.89 SMPD1 (0.67) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL14930509 0.89 SMPD1 (0.67) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL29171407 0.89 SMPD1 (0.67) MAPTPRSS1SMPD1MGLLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200289659-A1 CONJUGATES FOR TREATING DISEASES ENDOCYTE INC (US) 2020-09-17 US disclosed
US-10624972-B2 Conjugates for treating diseases ENDOCYTE, INC. (US) 2020-04-21 US disclosed
WO-2016148674-A1 CONJUGATES FOR TREATING DISEASES ENDOCYTE, INC. (US) 2016-09-22 WO 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 (2 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-10624972-B2 Conjugates for treating diseases CD79B, MALT1, TPMT MAPT 1077/4885PRSS1 3103/4885SMPD1 64/4885
US-20200289659-A1 CONJUGATES FOR TREATING DISEASES CD79B, MALT1, TPMT MAPT 1077/4885PRSS1 3103/4885SMPD1 64/4885

“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.