Sugi Predict

Sugi Predict / Compounds / SCHEMBL1809088

SCHEMBL1809088

SCHEMBL1809088

COC(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.57
▸ NOTUM Q6P988 1/20 0.52
▸ S1PR1 P21453 9/20 0.50
▸ S1PR3 Q99500 9/20 0.50
▸ SLC9A1 P19634 6/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ ADRA1D P25100 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ SLC9A2 Q9UBY0 1/20 0.46
▸ CFTR P13569 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ P4HB P07237 1/20 0.45

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
SCHEMBL1918275 0.99 RBP4 (0.58) RBP4NOTUMS1PR1S1PR3SLC9A1
SCHEMBL3912829 0.96 RBP4 (0.58) RBP4NOTUMS1PR1S1PR3SLC9A1
SCHEMBL3902326 0.93 RBP4 (0.60) RBP4NOTUMSLC9A1CYP2C9CYP2C19
SCHEMBL3910589 0.88 NOTUM (0.57) RBP4NOTUMS1PR1S1PR3CYP2C19
SCHEMBL1763854 0.87 RBP4 (0.55) RBP4NOTUMSLC9A1CYP2C9CYP2C19
SCHEMBL22074046 0.87 RBP4 (0.55) RBP4NOTUMSLC9A1CYP2C9CYP2C19
SCHEMBL27195841 0.86 RBP4 (0.62) RBP4NOTUMSLC9A1CYP2C9CYP2C19
SCHEMBL3901933 0.85 NOTUM (0.57) RBP4NOTUMCYP2C19CYP3A4SLC6A3
SCHEMBL1763555 0.84 SLC9A1 (0.67) RBP4SLC9A1CYP2C9CYP2C19CYP3A4
SCHEMBL402837 0.83 KMO (0.53) RBP4S1PR1S1PR3SLC9A1CYP2C9

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 29 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
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-116836157-A Oxadiazole derivative and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-03 — — CN disclosed
WO-2023179366-A1 OXADIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 星希尔生物科技(上海)有限公司 2023-09-28 — — WO disclosed
CN-115784839-A Preparation method of 4-cyclohexyl-3- (trifluoromethyl) benzyl alcohol 浙江工业大学 2023-03-14 — — CN disclosed
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-01-20 — — US disclosed
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 disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 — — EP disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 — — EP disclosed
EP-2493866-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2012-09-05 — — EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 — — US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 — — US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 — — US disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 — — WO disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 — — US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 — — EP 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 (3 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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R RBP4 4349/4885NOTUM 4234/4885S1PR1 1/4885
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 RBP4 4525/4885NOTUM 2224/4885S1PR1 3/4885
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE S1PR1, S1PR2, S1PR3 RBP4 2503/4885NOTUM 3859/4885S1PR1 1/4885

“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.