SCHEMBL9944121

SCHEMBL9944121

CCC(CC)Oc1cc(C(=O)Nc2ccc(C(=O)O)c(C)c2)cc(C)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
NR1H4 Q96RI1 2/20 0.42
FKBP5 Q13451 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MCL1 Q07820 1/20 0.41
PLAU P00749 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.39
MAPT P10636 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL1459303 0.91 MEN1 (0.48) TDP1KMT2AMEN1LMNAPOLB
SCHEMBL9944122 0.91 CPT1A (0.46) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL9944120 0.90 MEN1 (0.46) TDP1KMT2AMEN1LMNAPOLB
SCHEMBL9944116 0.89 RAB9A (0.44) TDP1NR1H4KMT2AMEN1LMNA
SCHEMBL1458204 0.86 TAS1R3 (0.47) KMT2AMEN1LMNAGAAPLAU
SCHEMBL1457804 0.84 NPC1 (0.47) TDP1NR1H4FKBP5KMT2AMEN1
SCHEMBL9944249 0.83 KCNK3 (0.44) TDP1KMT2AMEN1LMNAPOLB
SCHEMBL1458469 0.81 NPC1 (0.47) TDP1NR1H4FKBP5KMT2AMEN1
SCHEMBL1458169 0.80 KCNQ3 (0.47) TDP1KMT2AMEN1LMNAPOLB
SCHEMBL9944117 0.79 RARA (0.44) TDP1KMT2AMEN1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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 (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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG TDP1 2173/4885NR1H4 33/4885FKBP5 4041/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG TDP1 2173/4885NR1H4 33/4885FKBP5 4041/4885

“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.