SCHEMBL3846473

SCHEMBL3846473

OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.44
S1PR3 Q99500 13/20 0.44
S1PR4 O95977 3/20 0.41
S1PR5 Q9H228 3/20 0.41
ADORA3 P0DMS8 1/20 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
SCHEMBL30418848 1.00 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL31195718 0.98 S1PR1 (0.43) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL1920012 0.98 S1PR1 (0.43) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL3901604 0.95 S1PR1 (0.41) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL3910037 0.92 NOTUM (0.44) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3899152 0.86 KIF11 (0.44) S1PR1S1PR3
SCHEMBL2235318 0.85 S1PR1 (0.43) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL22074501 0.85 OPRL1 (0.43) S1PR1S1PR3
SCHEMBL22504242 0.84 S1PR1 (0.42) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL20863953 0.84 S1PR1 (0.42) S1PR1S1PR3S1PR4S1PR5ADORA3

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115784839-B Preparation method of 4-cyclohexyl-3- (trifluoromethyl) benzyl alcohol 浙江工业大学 2024-06-21 CN claimed
CN-115784839-A Preparation method of 4-cyclohexyl-3- (trifluoromethyl) benzyl alcohol 浙江工业大学 2023-03-14 CN claimed
CN-113896650-A Synthesis method of siponimod intermediate 成都科圣原医药科技有限公司 2022-01-07 CN claimed
EP-4737450-A1 HETEROAROMATIC FORMAMIDE COMPOUNDS AND USES THEREOF IN MEDICINE Longwood Pharmaceuticals (Hangzhou) Co., Ltd (CN) 2026-05-06 EP disclosed
US-12410126-B2 Process for making Siponimod and intermediate thereof SYNTHON B.V. (NL) 2025-09-09 US disclosed
CN-119638586-A Trifluoromethyl cyclohexyl benzyl ether substituted nitrogenous organic acid derivative, preparation method and application thereof 中国医学科学院药物研究所 2025-03-18 CN disclosed
WO-2025001956-A1 HETEROAROMATIC FORMAMIDE COMPOUNDS AND USES THEREOF IN MEDICINE 远森制药(杭州)有限公司 2025-01-02 WO disclosed
CN-115784839-B Preparation method of 4-cyclohexyl-3- (trifluoromethyl) benzyl alcohol 浙江工业大学 2024-06-21 CN disclosed
CN-115784839-B Preparation method of 4-cyclohexyl-3- (trifluoromethyl) benzyl alcohol 浙江工业大学 2024-06-21 CN disclosed
CN-115784839-B Preparation method of 4-cyclohexyl-3- (trifluoromethyl) benzyl alcohol 浙江工业大学 2024-06-21 CN disclosed
US-20230212115-A1 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORME THEREOF CIPLA LIMITED (IN) 2023-07-06 US disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US disclosed
CN-1921863-A Immunosuppressant compounds and compositions IRM LLC (BM) 2007-02-28 CN disclosed
EP-1718307-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2006-11-08 EP disclosed
CN-1787817-A Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-14 CN disclosed
US-7060697-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-13 US disclosed
EP-1638551-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-29 EP disclosed
WO-2005082089-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2005-09-09 WO disclosed
US-20050014724-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-20 US disclosed
WO-2004103309-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 WO 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 (4 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-20230212115-A1 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORME THEREOF S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 4/4885
US-12410126-B2 Process for making Siponimod and intermediate thereof S1PR5, SPHK2, S1PR2 S1PR1 4/4885S1PR3 7/4885S1PR4 5/4885
US-20070203100-A1 Immunosuppressant Compounds and Compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885S1PR4 211/4885
US-20050014724-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885S1PR4 211/4885

“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.