SCHEMBL21735527

SCHEMBL21735527

CCCCCc1ccc(-c2cc3ccc(OCCCC(F)(F)CCCO)cc3s2)c(CC)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
S1PR1 P21453 7/20 0.36
S1PR3 Q99500 5/20 0.36
PTPN11 Q06124 1/20 0.34
PDK2 Q15119 3/20 0.33
S1PR4 O95977 2/20 0.33
S1PR5 Q9H228 1/20 0.33
CNR2 P34972 4/20 0.32
CNR1 P21554 2/20 0.32

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
SCHEMBL22628747 0.90 S1PR1 (0.33) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL21735605 0.88 MEN1 (0.37) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL21735448 0.88 POLB (0.34) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL21735445 0.88 THRB (0.42) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL21735084 0.86 MEN1 (0.42) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL21735522 0.84 PDK2 (0.40) PDK2
SCHEMBL21735462 0.81 S1PR1 (0.44) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL21735464 0.81 THRB (0.41) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL22628856 0.81 POLB (0.32) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL21735516 0.80 HTR2A (0.39) LMNACYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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 (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-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 MEN1 3033/4885USP2 3558/4885ALDH1A1 1851/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 MEN1 3033/4885USP2 3558/4885ALDH1A1 1851/4885

“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.