SCHEMBL8510586

SCHEMBL8510586

COc1cc2c3c(c4c(c2cc1N1CCCCC1)-c1ccc(-c2ccccc2C(F)(F)F)cc1C4(C)C)C=CC(c1ccc(OCCO)cc1)(c1ccc(N2CCOCC2)cc1)O3

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.33
S1PR1 P21453 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
CHEK1 O14757 1/20 0.31
PDPK1 O15530 1/20 0.31
JAK2 O60674 1/20 0.31
EGFR P00533 1/20 0.31
MARK3 P27448 1/20 0.31
MAPK8 P45983 1/20 0.31

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
SCHEMBL18099449 0.98 MCHR1 (0.34) MCHR1
SCHEMBL8513738 0.95 MCHR1 (0.36) MCHR1S1PR1ALDH1A1LMNATP53
SCHEMBL18102181 0.94 S1PR1 (0.34) S1PR1ALDH1A1LMNATP53CYP1A2
SCHEMBL31337373 0.94 S1PR1 (0.34) S1PR1ALDH1A1LMNATP53CYP1A2
SCHEMBL18102121 0.92 S1PR1 (0.34) S1PR1ALDH1A1LMNATP53CYP1A2
SCHEMBL8510919 0.92 FFAR4 (0.32) S1PR1
SCHEMBL9289952 0.92 HTR1A (0.30)
SCHEMBL18099438 0.92 RARA (0.31)
SCHEMBL18099432 0.91 S1PR1 (0.34) S1PR1ALDH1A1LMNATP53CYP1A2
SCHEMBL1186786 0.90 S1PR1 (0.36) S1PR1ALDH1A1LMNATP53CYP1A2

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 1146/4885S1PR1 4320/4885ALDH1A1 1964/4885

“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.