SCHEMBL17428532

SCHEMBL17428532

COC(=O)C1(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.63
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
ALDH1A1 P00352 6/20 0.60
POLB P06746 4/20 0.59
HPGD P15428 3/20 0.59
MAPK1 P28482 1/20 0.59
MAPT P10636 4/20 0.59
LMNA P02545 2/20 0.57
ALOX15 P16050 1/20 0.57
KDM4E B2RXH2 3/20 0.56
USP2 O75604 1/20 0.55
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 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
SCHEMBL17428526 0.94 HTT (0.60) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL19075741 0.79 MEN1 (0.52) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL19075752 0.78 HTT (0.49) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL13277254 0.75 LPAR1 (0.49) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1810644 0.73 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL1811633 0.73 PDE4D (0.47) KMT2AMEN1
SCHEMBL17428661 0.73 HTT (0.66) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL19083722 0.72 LPAR1 (0.51) HTTKMT2AALDH1A1HPGDMAPT
SCHEMBL28693635 0.71 ALDH1A1 (1.00) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL30636113 0.71 ALDH1A1 (1.00) HTTKMT2AMEN1ALDH1A1POLB

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-11149002-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-19 US disclosed
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-03-18 US disclosed
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-01-31 US disclosed
US-10005724-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-06-26 US disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 US disclosed
WO-2016007534-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 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 (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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 HTT 1368/4885KMT2A 1836/4885MEN1 1465/4885
US-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 HTT 1368/4885KMT2A 1836/4885MEN1 1465/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 HTT 1368/4885KMT2A 1836/4885MEN1 1465/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 HTT 1368/4885KMT2A 1836/4885MEN1 1465/4885
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 HTT 1368/4885KMT2A 1836/4885MEN1 1465/4885

“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.