SCHEMBL21735844

SCHEMBL21735844

CCc1ccccc1-c1cc2ccc(OCC(C)(COC(=O)C(C)C(C)C)CC(F)(F)F)cc2o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.34
SRD5A2 P31213 3/20 0.34
F2RL3 Q96RI0 2/20 0.34
RAB9A P51151 3/20 0.34
MAOB P27338 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAOA P21397 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
POLB P06746 1/20 0.33
KLK7 P49862 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 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
SCHEMBL22628826 0.92 F2RL3 (0.35) SRD5A1SRD5A2F2RL3RAB9AMAOB
SCHEMBL21735313 0.86 RAB9A (0.36) SRD5A1SRD5A2F2RL3RAB9AMAOB
SCHEMBL21735312 0.86 F2RL3 (0.34) SRD5A1SRD5A2F2RL3RAB9AMAOB
SCHEMBL21735591 0.86 S1PR1 (0.38) MAOBCYP17A1CYP2C9CYP2C19MAOA
SCHEMBL22628824 0.85 F2RL3 (0.32) SRD5A1SRD5A2F2RL3RAB9AMAOB
SCHEMBL22625012 0.80 RAB9A (0.41) RAB9AMAOBALDH1A1SMN1; SMN2NPC1
SCHEMBL22628857 0.78 ACHE (0.40) MAOBMAOAS1PR1S1PR3PTPN1
SCHEMBL22625380 0.77 RAB9A (0.42) RAB9AMAOBALDH1A1SMN1; SMN2NPC1
SCHEMBL22625052 0.77 RAB9A (0.44) RAB9AMAOBALDH1A1SMN1; SMN2NPC1
SCHEMBL22630018 0.76 F2RL3 (0.36) SRD5A1SRD5A2F2RL3RAB9AMAOB

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-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US 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 SRD5A1 3562/4885SRD5A2 3907/4885F2RL3 2906/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 SRD5A1 3562/4885SRD5A2 3907/4885F2RL3 2906/4885

“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.