SCHEMBL20073523

SCHEMBL20073523

CCC(C)(C)c1cc(C(=O)NC)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.45
MAPK14 Q16539 3/20 0.41
LCK P06239 2/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC2 Q92769 1/20 0.41
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
THRB P10828 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
PLAU P00749 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL20064048 0.83 HDAC6 (0.46) PLK1MAPK14HDAC6HDAC8HDAC2
SCHEMBL25497533 0.82 POLB (0.44) EPHX2NR1H4TSHRSMN1; SMN2
SCHEMBL25497536 0.81 ALDH1A1 (0.48) HPGDTSHRHTTSMN1; SMN2
SCHEMBL13870617 0.79 ADCY8 (0.50) HDAC6HDAC8HDAC2PLAUHPGD
SCHEMBL12505804 0.76 PLK1 (0.58) PLK1HDAC6HDAC8HDAC2EPHX2
SCHEMBL18781295 0.75 PLK1 (0.56) PLK1HDAC6HDAC8HDAC2PLAU
SCHEMBL4141704 0.74 KMT2A (0.56) HDAC6HDAC8HDAC2NR1H4PLAU
SCHEMBL15158511 0.73 PLAU (0.47) PLK1MAPK14HDAC6HDAC8HDAC2
SCHEMBL12068769 0.73 PTGS1 (0.49) MAPK14LCKEPHX2NR1H4HPGD
SCHEMBL22745905 0.73 SLC6A2 (0.49) PLK1HDAC6HDAC8HDAC2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364247-B2 Preparation and use of novel protein kinase inhibitors RUIJIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2019-07-30 US disclosed
US-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS BRANDEIS UNIVERSITY 2018-04-19 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-10364247-B2 Preparation and use of novel protein kinase inhibitors MAP3K20, MAP3K19, MAP3K5 PLK1 49/4885MAPK14 132/4885LCK 256/4885
US-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K5 PLK1 49/4885MAPK14 132/4885LCK 256/4885

“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.