SCHEMBL3477752

SCHEMBL3477752

[CH2]CCCCn1ccc2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.81
CCND1 P24385 4/20 0.81
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
LMNA P02545 1/20 0.51
P2RX7 Q99572 1/20 0.51
ABCB1 P08183 1/20 0.50
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4863420 0.94 CDK4 (0.78) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL3616878 0.86 CDK4 (0.76) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL11366447 0.82 CDK4 (1.00) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL4554026 0.81 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL18911783 0.81 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL30495581 0.81 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL8656866 0.81 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL29571527 0.81 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL5661674 0.81 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL2410943 0.81 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA

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
US-20100317706-A1 HNF4alpha MODULATORS AND METHODS OF USE BUMHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-16 US disclosed
US-20100286220-A1 HNF4alpha ANTAGONISTS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-11 US disclosed
WO-2010127264-A2 HNF4α ANTAGONISTS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-04 WO disclosed
WO-2010127246-A2 HNF4 MODULATORS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-04 WO disclosed
WO-1996033171-A1 1H-PYRROL-1-YL AND 1H-INDOL-1-YL ARYL SULPHONES, PROCESSES FOR THEIR PREPARATION AND USE FOR THE THERAPY OF HIV-1 INFECTIONS ISTITUTO SUPERIORE DI SANITÁ (IT) 1996-10-24 WO disclosed
WO-1996033171-A1 1H-PYRROL-1-YL AND 1H-INDOL-1-YL ARYL SULPHONES, PROCESSES FOR THEIR PREPARATION AND USE FOR THE THERAPY OF HIV-1 INFECTIONS ISTITUTO SUPERIORE DI SANITÁ (IT) 1996-10-24 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 (2 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-20100317706-A1 HNF4alpha MODULATORS AND METHODS OF USE HNF4A, NCOA4, NR4A3 CDK4 202/4885CCND1 3990/4885HTR2A 948/4885
US-20100286220-A1 HNF4alpha ANTAGONISTS AND METHODS OF USE HNF4A, NCOA4, NR1H4 CDK4 156/4885CCND1 3113/4885HTR2A 1719/4885

“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.