Sugi Predict

Sugi Predict / Compounds / SCHEMBL512997

SCHEMBL512997

SCHEMBL512997

COc1ccc(C=O)cc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.61
▸ TSHR P16473 1/20 0.61
▸ AOX1 Q06278 1/20 0.56
▸ FDPS P14324 1/20 0.53
▸ HPGD P15428 2/20 0.51
▸ TRIM24 O15164 1/20 0.51
▸ ALDH5A1 P51649 1/20 0.51
▸ ABAT P80404 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ TRIM33 Q9UPN9 1/20 0.51
▸ TTR P02766 1/20 0.49
▸ NR3C1 P04150 2/20 0.45
▸ NR3C2 P08235 2/20 0.45
▸ APP P05067 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A3 P47895 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ KIF11 P52732 1/20 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
SCHEMBL3571412 0.86 ALDH1A1 (0.61) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL29688124 0.86 ALDH1A1 (0.61) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL1547486 0.84 ALDH1A1 (0.63) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL11991676 0.82 FDPS (0.46) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL26793691 0.82 TRPA1 (0.51) ALDH1A1TSHRHPGDAPPPOLB
SCHEMBL23715865 0.81 RXRA (0.49) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL2699247 0.81 ESRRA (0.64) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL13400007 0.81 FDPS (0.44) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL16697835 0.80 ALDH1A1 (0.50) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL24027956 0.80 ALDH1A1 (0.50) ALDH1A1TSHRAOX1FDPSHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083860-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF FUKANG SHANGHAI HEALTH TECH CO LTD (CN) 2024-03-14 — — US disclosed
CN-117586272-A Heterocyclic compound, preparation method and application thereof in medicine 苏州信诺维医药科技股份有限公司 2024-02-23 — — CN disclosed
EP-4303217-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Fukang (Shanghai) Health Technology Co., Ltd. (CN) 2024-01-10 — — EP disclosed
CN-117229244-A Orange ketone analogue and application thereof 中国科学院新疆理化技术研究所 2023-12-15 — — CN disclosed
CN-117186044-A Benzofuranone derivative and application thereof 中国科学院新疆理化技术研究所 2023-12-08 — — CN disclosed
CN-111615515-B Heterocyclic compound, preparation method and application thereof in medicine 苏州信诺维医药科技股份有限公司 2023-11-24 — — CN disclosed
US-11617738-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2023-04-04 — — US disclosed
CN-115028621-A Aromatic compound, preparation method and application thereof 甫康（上海）健康科技有限责任公司 2022-09-09 — — CN disclosed
WO-2022184177-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 甫康（上海）健康科技有限责任公司 2022-09-09 — — WO disclosed
CN-112979661-B Heterocyclic compound, preparation method and application thereof in medicine 苏州信诺维医药科技股份有限公司 2022-05-17 — — CN disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 — — WO disclosed
CN-1433410-A CDK inhibitors having 3-hydroxychromen-4-one structure LG LIFE SCIENCES CO LTD (KR) 2003-07-30 — — CN disclosed
US-20030125356-A1 Cdk inhibitors having 3-hydroxychromen-4-one structure LG LIFE SCIENCES LTD. (KR) 2003-07-03 — — US disclosed
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. 2003-06-05 — — US disclosed
US-6498159-B1 SUCH AS 4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-1-((4-HYDROXY-4 -HYDROXYMETHYL)PIPERIDINO)-6-PHTHALAZINE CARBONITRILE EISAI CO., LTD. (JP) 2002-12-24 — — US disclosed
EP-1057819-A1 PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION Eisai Co., Ltd. (JP) 2000-12-06 — — EP disclosed
WO-1992004356-A1 PHENANTHRIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1992-03-19 — — WO disclosed
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 — — US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 — — US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 — — 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 (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-20030125356-A1 Cdk inhibitors having 3-hydroxychromen-4-one structure CDK4, CDK3, CDK6 ALDH1A1 1157/4885TSHR 4555/4885AOX1 1922/4885
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction CLIC1, CBR1, CBR3 ALDH1A1 410/4885TSHR 3875/4885AOX1 1012/4885
US-20240083860-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SLC10A1, GOT1, CYP46A1 ALDH1A1 354/4885TSHR 4126/4885AOX1 645/4885
US-11617738-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use USP7, USP3, USP2 ALDH1A1 647/4885TSHR 4436/4885AOX1 451/4885

“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.