SCHEMBL26437832

SCHEMBL26437832

CC(C)C1=Nc2ccccc2C(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 6/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
APAF1 O14727 2/20 0.36
GALK1 P51570 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TSHR P16473 1/20 0.36
HK1 P19367 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 3/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL13960865 0.81 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1394908 0.76 KMT2A (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7256137 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1101901 0.73 HRH4 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18172243 0.72 DHODH (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18172241 0.72 TDP1 (0.33) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7938811 0.72 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6667756 0.72 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL28496097 0.72 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL27925418 0.72 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130602-A1 INHIBITORS OF C. DIFFICILE SPORE GERMINATION THE BOARDS OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2023-04-27 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-20230130602-A1 INHIBITORS OF C. DIFFICILE SPORE GERMINATION CDC37, SI, DAD1 ALDH1A1 2369/4885KDM4E 3775/4885MAPT 863/4885

“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.