SCHEMBL806920

SCHEMBL806920

Cc1cccc(C)c1CN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.53
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.50
HRH3 Q9Y5N1 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CHRNA7 P36544 1/20 0.44

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
SCHEMBL10211060 0.98 CFB (0.50) CFBALDH1A1KDM4EHRH3CYP2D6
SCHEMBL20196154 0.87 KDM4E (0.60) CFBALDH1A1KDM4EHRH3CYP2D6
SCHEMBL17857251 0.85 KDM4E (0.55) CFBALDH1A1KDM4EHRH3CYP2D6
SCHEMBL807423 0.85 ALDH1A1 (0.51) CFBALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL11211349 0.83 CYP2D6 (0.51) CFBALDH1A1KDM4EHRH3CYP2D6
SCHEMBL29253343 0.83 CFB (0.43) CFBALDH1A1KDM4EHRH3CYP2D6
SCHEMBL10102493 0.82 KMT2A (0.65) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL18713208 0.82 MC4R (0.55) ALDH1A1KDM4ETDP1KMT2ACHRNA7
SCHEMBL10702627 0.80 COMT (0.47) CFBALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL918507 0.80 KMT2A (0.41) CFBALDH1A1KDM4EPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720721-B Anion exchange polymer, ion exchange membrane, and preparation methods and application thereof 国家电投集团氢能科技发展有限公司 2024-04-30 CN disclosed
CN-117720721-A Anion exchange polymer, ion exchange membrane, and preparation methods and application thereof 国家电投集团氢能科技发展有限公司 2024-03-19 CN disclosed
US-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2023-10-12 US disclosed
EP-3594202-B1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-08-11 EP disclosed
EP-2615916-B1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-01-04 EP disclosed
WO-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 WO 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-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 CFB 4693/4885ALDH1A1 2551/4885KDM4E 335/4885

“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.