SCHEMBL24997152

SCHEMBL24997152

CC(C)c1ccc(CCC(C)c2ccc(Br)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
HTR2A P28223 1/20 0.41
IDO1 P14902 2/20 0.40
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
PYCR1 P32322 1/20 0.38
GPR183 P32249 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL24067355 0.83 MEN1 (0.46) RAB9ATAAR1IDO1KMT2AESR1
SCHEMBL29291900 0.83 ACHE (0.45) TAAR1IDO1KMT2AESR1ESR2
SCHEMBL9587186 0.82 TAAR1 (0.39) TAAR1HTR2AHSP90AA1KMT2A
SCHEMBL254340 0.77 CYP2A6 (0.50) RAB9ANPC1HTR2AIDO1PYCR1
SCHEMBL6547394 0.76 CYP1A2 (0.46) TAAR1IDO1KMT2AESR1ESR2
SCHEMBL6768070 0.76 TAAR1 (0.50) TAAR1HTR2AHSP90AA1KMT2APYCR1
SCHEMBL24106999 0.75 BCHE (0.39) RAB9ATAAR1IDO1ALDH1A1
Magnesium SCHEMBL31125581 0.75 CYP2A6 (0.47) RAB9ANPC1HTR2AIDO1PYCR1
SCHEMBL3970246 0.75 CYP2A6 (0.47) RAB9ANPC1HTR2AIDO1PYCR1
SCHEMBL10729588 0.75 IDO1 (0.56) RAB9ANPC1IDO1KMT2APYCR1

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-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-02-09 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-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS NLN, GLS, PRNP RAB9A 882/4885NPC1 1203/4885TAAR1 4717/4885

“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.