SCHEMBL9250941

SCHEMBL9250941

COc1cc2c3c(c4c(c2cc1N1CCCCC1)-c1ccc(-c2ccccc2C)cc1C4(C)C)C=CC(c1ccc(OCCOC(=O)CCC(=O)OCCCCCCCCCCOC(=O)CCC(=O)OCCOc2ccc(C4(c5ccc(N6CCOCC6)cc5)C=Cc5c6c(c7cc(N8CCCCC8)c(OC)cc7c5O4)-c4ccc(-c5ccccc5C)cc4C6(C)C)cc2)cc1)(c1ccc(N2CCOCC2)cc1)O3

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
HTR7 P34969 2/20 0.31
HTR6 P50406 2/20 0.31
CHEK1 O14757 2/20 0.30
PDPK1 O15530 2/20 0.30
JAK2 O60674 2/20 0.30
MAPK8 P45983 2/20 0.30
EGFR P00533 1/20 0.30
MARK3 P27448 1/20 0.30
GSK3B P49841 1/20 0.30
MARK2 Q7KZI7 1/20 0.30
AURKB Q96GD4 1/20 0.30
AURKA O14965 1/20 0.30
RPS6KB1 P23443 1/20 0.30
CDK2 P24941 1/20 0.30
PLK3 Q9H4B4 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
PLA2G4A P47712 1/20 0.30

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
SCHEMBL9289952 0.93 HTR1A (0.30) HTR1ADRD2HTR7HTR6
SCHEMBL18099438 0.90 RARA (0.31) HTR1ADRD2HTR7HTR6
SCHEMBL18099447 0.90 CHEK1 (0.33) HTR1ADRD2HTR7HTR6CHEK1
SCHEMBL8510919 0.89 FFAR4 (0.32)
SCHEMBL8510586 0.84 MCHR1 (0.33) CHEK1PDPK1JAK2MAPK8EGFR
SCHEMBL18099433 0.83 KCNH2 (0.31) CHEK1PDPK1JAK2MAPK8EGFR
SCHEMBL9251151 0.82 CHEK1 (0.34) HTR1ADRD2HTR7HTR6CHEK1
SCHEMBL18091463 0.82 AKT1 (0.33) CHEK1CDK2
SCHEMBL8513937 0.82
SCHEMBL18099448 0.82 HTR1A (0.33) HTR1ADRD2HTR7HTR6CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8647538-B2 Photochromic compounds having at least two photochromic moieties TRANSITIONS OPTICAL, INC. (US) 2014-02-11 US disclosed
US-20120136148-A1 Photochromic Compounds Having At Least Two Photochromic Moieties TRANSITIONS OPTICAL, INC. (US) 2012-05-31 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-20120136148-A1 Photochromic Compounds Having At Least Two Photochromic Moieties CRY2, PCNA, MTCL3 HTR1A 3570/4885DRD2 1571/4885HTR7 3904/4885

“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.