SCHEMBL5542437

SCHEMBL5542437

CCN1CC(C)(C)c2cc(C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 3/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
HTT P42858 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC22A12 Q96S37 1/20 0.33
F2 P00734 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.31
CNR1 P21554 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL5540500 0.87 ALDH1A1 (0.40) ALDH1A1LMNAPOLBTSHRKMT2A
SCHEMBL5545905 0.84 ALDH1A1 (0.43) ALDH1A1LMNAPOLBTSHRKMT2A
SCHEMBL5542487 0.83 RARB (0.43) ALDH1A1LMNAPOLBTSHRKMT2A
SCHEMBL22346077 0.82 KMT2A (0.42) ALDH1A1LMNAPOLBTSHRKMT2A
SCHEMBL5544189 0.82 RARB (0.45) ALDH1A1LMNAPOLBTSHRKMT2A
SCHEMBL5542430 0.81 SLC22A12 (0.30) SLC22A12
SCHEMBL5536032 0.77 ALDH1A1 (0.43) ALDH1A1LMNAPOLBTSHRKMT2A
SCHEMBL9136339 0.77 NOTUM (0.50) LMNAPOLBKMT2AMEN1HTT
SCHEMBL29833681 0.77 NOTUM (0.50) LMNAPOLBKMT2AMEN1HTT
SCHEMBL31437122 0.75 ALDH1A1 (0.36) ALDH1A1LMNAPOLBTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023112055-A1 NEW SYNTHETIC PROCESS DESIGN FOR THE SYNTHESIS OF CARBOXY TORMIFENE AND PURITY ANALYSIS TO STRENGTHEN ANTIDOPING TESTING DIRECTOR, NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH, GUWAHATI (NIPER-G) (IN) 2023-06-22 WO disclosed
WO-2021028935-A1 HETEROCYCLIC COMPOUNDS, AND THEIR USE AS ALLOSTERIC MODULATORS OF 5-HYDROXYTRYPTAMINE 2C RECEPTOR (5-HT2CR) DR REDDY'S INSTITUTE OF LIFE SCIENCES (IN) 2021-02-18 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885LMNA 4152/4885POLB 1637/4885

“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.