SCHEMBL6510445

SCHEMBL6510445

CCCCc1c(-c2ccc(-c3ccccc3)cc2)cn2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 9/20 0.50
HPGD P15428 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HRH3 Q9Y5N1 4/20 0.47
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
HSD11B1 P28845 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL5793301 0.86 HDAC6 (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4463151 0.84 HRH3 (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4267572 0.82 GAA (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4462123 0.82 HRH3 (0.52) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7169417 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6217658 0.82 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL13438866 0.82 HRH3 (0.55) KDM4EALDH1A1HPGDMEN1KMT2A
Bromide SCHEMBL6215771 0.81 ALDH1A1 (0.45) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4261577 0.81 PTPN1 (0.52) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4261656 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDMEN1KMT2A

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-20050004369-A1 Phenyl substituted carboxylic acids INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-06 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-20050004369-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO KDM4E 1082/4885ALDH1A1 209/4885HPGD 2065/4885

“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.