SCHEMBL8513738

SCHEMBL8513738

COc1cc2c3c(c4c(c2cc1OC)-c1ccc(-c2ccccc2C(F)(F)F)cc1C4(C)C)C=CC(c1ccc(OCCO)cc1)(c1ccc(N2CCOCC2)cc1)O3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
CHEK1 O14757 4/20 0.34
PDPK1 O15530 2/20 0.34
JAK2 O60674 2/20 0.34
MAPK8 P45983 2/20 0.34
EGFR P00533 1/20 0.34
MARK3 P27448 1/20 0.34
GSK3B P49841 1/20 0.34
MARK2 Q7KZI7 1/20 0.34
AURKB Q96GD4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL8510586 0.95 MCHR1 (0.33) MCHR1CHEK1PDPK1JAK2MAPK8
SCHEMBL18099449 0.92 MCHR1 (0.34) MCHR1
SCHEMBL31337373 0.88 S1PR1 (0.34) ALDH1A1LMNATP53CYP1A2CYP3A4
SCHEMBL18102181 0.88 S1PR1 (0.34) ALDH1A1LMNATP53CYP1A2CYP3A4
SCHEMBL1186786 0.88 S1PR1 (0.36) ALDH1A1LMNATP53CYP1A2CYP3A4
SCHEMBL18099438 0.87 RARA (0.31)
SCHEMBL8510919 0.87 FFAR4 (0.32) S1PR1FFAR4
SCHEMBL9289952 0.87 HTR1A (0.30)
SCHEMBL18102121 0.86 S1PR1 (0.34) ALDH1A1LMNATP53CYP1A2CYP3A4
SCHEMBL18099432 0.85 S1PR1 (0.34) ALDH1A1LMNATP53CYP1A2CYP3A4

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 MCHR1 1146/4885CHEK1 444/4885PDPK1 3591/4885

“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.