SCHEMBL19295451

SCHEMBL19295451

CC(C)(C)CCc1ccc(NC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A2 P23975 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
TNNC1 P63316 5/20 0.33
SGPL1 O95470 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
GPR183 P32249 1/20 0.33
CERS2 Q96G23 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL12883524 0.83 LPL (0.43) NPC1HPGDRAB9A
SCHEMBL13555243 0.81 APP (0.38) NPC1HPGDRAB9ASLC6A2MMP12
SCHEMBL19088282 0.79 TAAR1 (0.56) SLC6A2
SCHEMBL16788858 0.79 NPC1 (0.37) NPC1HPGDRAB9ASLC6A2MMP12
SCHEMBL13635958 0.78 ESR1 (0.52) NPC1HPGDRAB9ASLC6A2
SCHEMBL31277355 0.78 TAAR1 (0.52) TNNC1SGPL1S1PR4S1PR1GPR183
SCHEMBL6248799 0.78 HPGD (0.45) NPC1HPGDRAB9AHDAC3HDAC4
SCHEMBL13884337 0.78 LMNA (0.48) HPGD
SCHEMBL17917289 0.78 NPC1 (0.38) NPC1HPGDRAB9A
SCHEMBL25881532 0.78 ESR1 (0.52) NPC1HPGDRAB9ASLC6A2TNNC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 US disclosed
US-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-05-16 US disclosed
US-20180117163-A9 VAR2CSA-DRUG CONJUGATES ZYMEWORKS INC. (CA) 2018-05-03 US disclosed
US-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 US disclosed
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 US disclosed
US-20170246310-A1 VAR2CSA-DRUG CONJUGATES ZYMEWORKS INC. (CA) 2017-08-31 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 (6 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-20170246310-A1 VAR2CSA-DRUG CONJUGATES VARS1, GUSB, VAV1 NPC1 798/4885HPGD 3418/4885RAB9A 257/4885
US-20180117163-A9 VAR2CSA-DRUG CONJUGATES VARS1, GUSB, VAV1 NPC1 798/4885HPGD 3418/4885RAB9A 257/4885
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT NPC1 2704/4885HPGD 3861/4885RAB9A 1768/4885
US-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT NPC1 2791/4885HPGD 3966/4885RAB9A 1531/4885
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same FCGRT, QARS1, INHA NPC1 1960/4885HPGD 2797/4885RAB9A 740/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA NPC1 1960/4885HPGD 2797/4885RAB9A 740/4885

“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.