SCHEMBL21735819

SCHEMBL21735819

CCCCCc1ccc(-c2cc3ccc(OCCCC(F)(F)CCCO)cc3o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.50
S1PR3 Q99500 3/20 0.50
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
CA2 P00918 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 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
SCHEMBL21735462 0.87 S1PR1 (0.44) S1PR1S1PR3MEN1USP2ALDH1A1
SCHEMBL21734955 0.86 S1PR1 (0.49) S1PR1S1PR3CA12CA1CA9
SCHEMBL21735548 0.86 S1PR1 (0.41) S1PR1S1PR3MEN1USP2ALDH1A1
SCHEMBL21735219 0.83 CA12 (0.45) S1PR1S1PR3ALDH1A1SMN1; SMN2CA12
SCHEMBL26292278 0.83 S1PR1 (0.53) S1PR1S1PR3MEN1USP2ALDH1A1
SCHEMBL25848542 0.80 MAOB (0.44) S1PR1S1PR3ALDH1A1MAPK1SMN1; SMN2
SCHEMBL21735084 0.80 MEN1 (0.42) S1PR1S1PR3MEN1USP2ALDH1A1
SCHEMBL22625244 0.80 MAOB (0.43) S1PR1S1PR3ALDH1A1MAPK1SMN1; SMN2
SCHEMBL18523589 0.78 MAOB (0.56) S1PR1S1PR3MEN1ALDH1A1MAPK1
SCHEMBL20473135 0.77 APP (0.49) S1PR1S1PR3ALDH1A1LMNACYP3A4

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 S1PR1 3951/4885S1PR3 2314/4885MEN1 3033/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885S1PR3 2314/4885MEN1 3033/4885

“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.