SCHEMBL5767014

SCHEMBL5767014

COC(=O)c1ccc(OCCCCCOc2ccc(C(=O)OC)cc2OC)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
PRSS1 P07477 4/20 0.63
SMPD1 P17405 3/20 0.58
TSHR P16473 1/20 0.58
MGLL Q99685 1/20 0.58
KMT2A Q03164 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
THRA P10827 1/20 0.56
THRB P10828 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54

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
SCHEMBL2149738 0.95 MAPT (0.66) MAPTPRSS1SMPD1TSHRMGLL
SCHEMBL29171445 0.94 SMPD1 (0.67) MAPTPRSS1SMPD1TSHRMGLL
SCHEMBL29171439 0.94 SMPD1 (0.67) MAPTPRSS1SMPD1TSHRMGLL
SCHEMBL29171438 0.94 SMPD1 (0.67) MAPTPRSS1SMPD1TSHRMGLL
SCHEMBL29171402 0.94 SMPD1 (0.67) MAPTPRSS1SMPD1TSHRMGLL
SCHEMBL14930509 0.94 SMPD1 (0.67) MAPTPRSS1SMPD1TSHRMGLL
SCHEMBL9307505 0.94 SMPD1 (0.67) MAPTPRSS1SMPD1TSHRMGLL
SCHEMBL29171419 0.94 SMPD1 (0.67) MAPTPRSS1SMPD1TSHRMGLL
SCHEMBL29171407 0.94 SMPD1 (0.67) MAPTPRSS1SMPD1TSHRMGLL
SCHEMBL18089529 0.94 MAPT (0.57) MAPTPRSS1SMPD1TSHRMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200323991-A1 PBD CONJUGATES FOR TREATING DISEASES ENDOCYTE, INC. 2020-10-15 US disclosed
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
US-20200038514-A1 FOLATE CONJUGATE FOR USE IN TARGETING TUMOR ASSOCIATED MACROPHAGES ENDOCYTE INC (US) 2020-02-06 US disclosed
WO-2017172930-A1 PBD CONJUGATES FOR TREATING DISEASES ENDOCYTE, INC. (US) 2017-10-05 WO disclosed
WO-2016148674-A1 CONJUGATES FOR TREATING DISEASES ENDOCYTE, INC. (US) 2016-09-22 WO disclosed
US-7265105-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-09-04 US disclosed
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 US disclosed
EP-1413582-B1 Dimeric pyrrolobenzodiazepines SPIROGEN LTD (GB) 2006-03-15 EP disclosed
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 EP disclosed
EP-1413582-A1 Dimeric pyrrolobenzodiazepines Spirogen Limited (GB) 2004-04-28 EP disclosed
US-20030120069-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-06-26 US disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 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 (5 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
US-20200038514-A1 FOLATE CONJUGATE FOR USE IN TARGETING TUMOR ASSOCIATED MACROPHAGES FOLR1, FOLR2, FOLH1 MAPT 3243/4885PRSS1 1748/4885SMPD1 771/4885
US-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 MAPT 2734/4885PRSS1 4642/4885SMPD1 4840/4885
US-20200323991-A1 PBD CONJUGATES FOR TREATING DISEASES CD79B, BTD, PBDC1 MAPT 753/4885PRSS1 3469/4885SMPD1 97/4885

“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.