SCHEMBL9945903

SCHEMBL9945903

CC(C)c1cccc(C=O)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.42
LMNA P02545 2/20 0.41
BLM P54132 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
TSHR P16473 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
FAAH O00519 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
GABRB1 P18505 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL4743962 0.82 ERN1 (0.44) ERN1LMNABLMMEN1THRB
SCHEMBL29602790 0.82 ERN1 (0.44) ERN1LMNABLMMEN1THRB
SCHEMBL9945894 0.82 TYR (0.40) ERN1LMNABLMMEN1THRB
SCHEMBL16957395 0.80 GABRA1 (0.45) LMNABLMKMT2AGABRA1GABRG2
SCHEMBL2871090 0.80 ANPEP (0.42) LMNABLMGABRA1GABRG2GABRB3
SCHEMBL385724 0.79 LMNA (0.55) LMNABLMMEN1THRBKMT2A
SCHEMBL16940689 0.78 GABRA1 (0.55) LMNABLMKMT2AGABRA1GABRG2
SCHEMBL6853865 0.78 KMT2A (0.58) ERN1LMNABLMMEN1THRB
SCHEMBL5473286 0.78 LMNA (0.42) ERN1LMNABLMMEN1THRB
SCHEMBL548216 0.78 TSHR (0.45) ERN1LMNABLMMEN1THRB

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
CN-109843856-A KRAS G12C inhibitor 米拉蒂治疗股份有限公司 2019-06-04 CN disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 EP 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ERN1 2855/4885LMNA 3453/4885BLM 3572/4885

“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.