SCHEMBL9080440

SCHEMBL9080440

CCCCCCCCCCCCCCCCCCOc1ccccc1C([NH])=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.72
CYP3A4 P08684 2/20 0.72
MAPT P10636 2/20 0.72
MEN1 O00255 1/20 0.72
NR1I2 O75469 1/20 0.72
CHRM2 P08172 1/20 0.72
ADRA2A P08913 1/20 0.72
OPRK1 P41145 1/20 0.72
HTR2B P41595 1/20 0.72
SLC6A3 Q01959 1/20 0.72
KMT2A Q03164 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72
ALDH1A1 P00352 4/20 0.61
TSHR P16473 3/20 0.61
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
PTPN11 Q06124 2/20 0.56
KDM4E B2RXH2 2/20 0.54
POLB P06746 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
SCHEMBL8799353 1.00 LMNA (0.72) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL9245529 1.00 LMNA (0.72) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL7766053 0.93 LMNA (0.62) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL6709213 0.88 LMNA (0.55) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL15154872 0.87 LMNA (0.77) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL7078029 0.86 ALDH1A1 (0.79) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL6267333 0.86 ALDH1A1 (0.79) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL9636466 0.86 ALDH1A1 (0.79) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL2853795 0.86 ALDH1A1 (0.79) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL17961072 0.86 ALDH1A1 (0.79) LMNACYP3A4MAPTMEN1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190070113-A1 Treating Ephrin Receptor A2 (Epha2) Positive Cancer with Targeted Docetaxel-Generating Nano-Liposome Compositions MERRIMACK PHARMACEUTICALS, INC. (US) 2019-03-07 US disclosed
EP-3429631-A1 TREATING EPHRIN RECEPTOR A2 (EPHA2) POSITIVE CANCER WITH TARGETED DOCETAXEL-GENERATING NANO-LIPOSOME COMPOSITIONS Merrimack Pharmaceuticals, Inc. (US) 2019-01-23 EP disclosed
EP-3429629-A1 EPHRIN RECEPTOR A2 (EPHA2)-TARGETED DOCETAXEL-GENERATING NANO-LIPOSOME COMPOSITIONS Merrimack Pharmaceuticals, Inc. (US) 2019-01-23 EP disclosed
US-20180021294-A1 Ephrin Receptor A2 (EPHA2)-Targeted Docetaxel-Generating Nano-Liposome Compositions MERRIMACK PHARMACEUTICALS, INC. 2018-01-25 US disclosed
WO-2017161067-A1 EPHRIN RECEPTOR A2 (EPHA2)-TARGETED DOCETAXEL-GENERATING NANO-LIPOSOME COMPOSITIONS MERRIMACK PHARMACEUTICALS, INC (US) 2017-09-21 WO disclosed
WO-2017161071-A1 TREATING EPHRIN RECEPTOR A2 (EPHA2) POSITIVE CANCER WITH TARGETED DOCETAXEL-GENERATING NANO-LIPOSOME COMPOSITIONS MERRIMACK PHARMACEUTICALS, INC (US) 2017-09-21 WO disclosed
US-5500334-A Silver halide color photographic material containing pyrazole-substituted couplers FUJI PHOTO FILM CO., LTD. (JP) 1996-03-19 US disclosed
US-5498419-A SIDE EFFECT REDUCTION PARS HARRY G (US) 1996-03-12 US disclosed
WO-1995033429-A1 FUMARATE SALT OF 4-(DIETHYL-3-(1-METHYLOCTYL)- 7, 8, 9, 10-TETRAHYDRO-6, 6, 9-TRIMETHYL-6H-DIBENZO[B, D]PYRAN-1-OL, 4-(DIETHYL-AMINO)BUTYRIC ACID ESTER PARS HARRY G (US) 1995-12-14 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 (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-20190070113-A1 Treating Ephrin Receptor A2 (Epha2) Positive Cancer with Targeted Docetaxel-Generating Nano-Liposome Compositions EPHA2, EPHB2, EPHB1 LMNA 4076/4885CYP3A4 4494/4885MAPT 3112/4885
US-20180021294-A1 Ephrin Receptor A2 (EPHA2)-Targeted Docetaxel-Generating Nano-Liposome Compositions EPHA2, EPHB2, EPHB1 LMNA 2969/4885CYP3A4 3810/4885MAPT 1871/4885

“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.