Sugi Predict

Sugi Predict / Compounds / SCHEMBL477694

SCHEMBL477694

SCHEMBL477694

OC(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP3 P15309 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ KIF11 P52732 1/20 0.52
▸ HSD11B1 P28845 1/20 0.51
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ TRPV6 Q9H1D0 1/20 0.48
▸ TOP2A P11388 1/20 0.48
▸ TOP2B Q02880 1/20 0.48
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ OPRL1 P41146 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ ADORA2A P29274 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44

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
SCHEMBL477425 1.00 ACP3 (0.59) ACP3ALDH1A1TSHRKIF11HSD11B1
Water SCHEMBL28529645 0.98 ACP3 (0.58) ACP3ALDH1A1TSHRKIF11HSD11B1
SCHEMBL2271902 0.94 KIF11 (0.63) ACP3ALDH1A1TSHRKIF11HSD11B1
SCHEMBL2271905 0.94 KIF11 (0.63) ACP3ALDH1A1TSHRKIF11HSD11B1
SCHEMBL2271910 0.94 KIF11 (0.63) ACP3ALDH1A1TSHRKIF11HSD11B1
SCHEMBL2090829 0.91 CES2 (0.55) ACP3ALDH1A1TSHRKIF11HSD11B1
SCHEMBL10392935 0.89 CES2 (0.53) ACP3ALDH1A1TSHRKIF11HSD11B1
SCHEMBL2276839 0.84 KIF11 (0.58) ACP3KIF11CES2CES1
SCHEMBL14033674 0.83 IDO1 (0.54) ACP3ADORA2ACACNA1CADORA1
SCHEMBL1350356 0.83 PAX8 (0.49) ACP3KIF11HSD11B1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112517060-B Catalyst, application and synthesis method of 4-hydroxycoumarin derivative 山东农业大学 2022-03-25 — — CN claimed
CN-112517060-A Catalyst, application and synthesis method of 4-hydroxycoumarin derivative 山东农业大学 2021-03-19 — — CN claimed
CN-112517060-B Catalyst, application and synthesis method of 4-hydroxycoumarin derivative 山东农业大学 2022-03-25 — — CN disclosed
CN-112517060-A Catalyst, application and synthesis method of 4-hydroxycoumarin derivative 山东农业大学 2021-03-19 — — CN disclosed
CN-110128233-B Preparation method of deuterated alcohol compound 南京工业大学 2021-02-02 — — CN disclosed
CN-109053754-B Synthetic method for constructing polysubstituted chroman compound based on biomass source 2, 5-dimethylfuran dearomatization cycloaddition strategy 青岛农业大学 2020-04-07 — — CN disclosed
CN-110128233-A Preparation method of deuterated alcohol or amine compound 南京工业大学 2019-08-16 — — CN disclosed
US-9663476-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2017-05-30 — — US disclosed
US-9365553-B2 Heterocyclic compound and H1 receptor antagonist ASKA PHARMACEUTICAL CO., LTD. (JP) 2016-06-14 — — US disclosed
US-9365553-B2 Heterocyclic compound and H1 receptor antagonist ASKA PHARMACEUTICAL CO., LTD. (JP) 2016-06-14 — — US disclosed
EP-2947067-A1 Glycine transporter-1 inhibitors Amgen, Inc (US) 2015-11-25 — — EP disclosed
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 — — US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 — — EP disclosed
US-20040127503-A1 17Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION 2004-07-01 — — US disclosed
WO-2004046111-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORPORATION (US) 2004-06-03 — — WO disclosed
US-20040039014-A1 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. 2004-02-26 — — US disclosed
EP-1096926-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2001-05-09 — — EP disclosed
WO-2000002551-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2000-01-20 — — WO disclosed
EP-0801048-A1 Process for producing benzhydrols K I CHEMICAL INDUSTRY CO., LTD. (JP) 1997-10-15 — — EP disclosed
US-4138488-A Diphenylmethyl picolinic acid derivatives and their use as anti-acne agents SCHERING CORPORATION (US) 1979-02-06 — — 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 (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-20040127503-A1 17Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases HSD17B3, HSD17B1, HSD17B11 ACP3 39/4885ALDH1A1 96/4885TSHR 4153/4885
US-20040039014-A1 Methods and compounds for treating depression and other disorders GRIN1, GRIN2C, GRIN3B ACP3 1978/4885ALDH1A1 2425/4885TSHR 1030/4885
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 ACP3 4636/4885ALDH1A1 907/4885TSHR 1061/4885

“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.