SCHEMBL18862287

SCHEMBL18862287

CC(CCC(=O)C(C)(C)C)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ PGR P06401 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ HTT P42858 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL18327107 0.82 CYP1A2 (0.52) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL14418508 0.81 LMNA (0.52) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL21168872 0.79 LMNA (0.48) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL11170402 0.78 PGR (0.52) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL1824157 0.77 PGR (0.55) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL17002137 0.77 PGR (0.55) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL20866039 0.75 PGR (0.42) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL2092216 0.75 PGR (0.49) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL11230623 0.75 PGR (0.49) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL10807467 0.75 GABRR1 (0.52) LMNAALDH1A1PGRADRA2AADRA2B

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-9796692-B2 Ribonucleotide reductase inhibitors and methods of use CITY OF HOPE (US) 2017-10-24 — — US disclosed
US-20170137392-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2017-05-18 — — 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 (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-20170137392-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE RRM2, RRM2B, RRM1 LMNA 3101/4885ALDH1A1 1503/4885PGR 3258/4885

“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.

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