SCHEMBL21963579

SCHEMBL21963579

COc1cc(C(=O)OCc2ccccc2)cc(OC)c1OC(=O)c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.69
TDP1 Q9NUW8 5/20 0.69
LMNA P02545 1/20 0.69
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL21963617 0.90 LMNA (0.70) KMT2ATDP1LMNASLC6A2SLC6A3
SCHEMBL21963620 0.88 KMT2A (0.67) KMT2ATDP1LMNAHDAC1ALDH1A1
SCHEMBL21963607 0.83 ALDH1A1 (0.68) KMT2ATDP1HTTALDH1A1MAPK1
Benzyl Nicotinate SCHEMBL29394048 0.83 LMNA (1.00) KMT2ATDP1LMNASLC6A2SLC6A3
Benzyl Nicotinate SCHEMBL24600 0.83 LMNA (1.00) KMT2ATDP1LMNASLC6A2SLC6A3
SCHEMBL22015262 0.83 KMT2A (0.74) KMT2ATDP1LMNASLC6A2SLC6A3
SCHEMBL22014585 0.82 KMT2A (0.78) KMT2ATDP1LMNASLC6A2SLC6A3
SCHEMBL21963616 0.82 LMNA (0.65) KMT2ATDP1LMNASLC6A2SLC6A3
Benzyl Nicotinate SCHEMBL29080664 0.82 LMNA (0.97) KMT2ATDP1LMNASLC6A2SLC6A3
Benzyl Nicotinate SCHEMBL28041943 0.82 LMNA (0.97) KMT2ATDP1LMNASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220009892-A1 SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF INCILIA THERAPEUTICS PRIVATE LIMITED (IN) 2022-01-13 US disclosed
US-20220009892-A1 SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF INCILIA THERAPEUTICS PRIVATE LIMITED (IN) 2022-01-13 US disclosed
WO-2020100169-A1 SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF INCILIA THERAPEUTICS PRIVATE LIMITED (IN) 2020-05-22 WO disclosed
WO-2020100169-A1 SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF INCILIA THERAPEUTICS PRIVATE LIMITED (IN) 2020-05-22 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 (1 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-20220009892-A1 SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF PC, PCCA, GLS2 KMT2A 2224/4885TDP1 4115/4885LMNA 3457/4885

“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.