Sugi Predict

Sugi Predict / Compounds / SCHEMBL306807

SCHEMBL306807

SCHEMBL306807

CC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ ESR1 P03372 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
Iodide SCHEMBL8895390 0.97 TSHR (0.39) TSHRALOX15HSP90AA1CA2CA4
Bromide SCHEMBL8055789 0.97 TSHR (0.39) TSHRALOX15HSP90AA1CA2CA4
SCHEMBL29244093 0.90 ALOX15 (0.35) TSHRALOX15HSP90AA1CA2CA4
SCHEMBL16161209 0.74 ALOX15 (0.35) TSHRALOX15HSP90AA1CA2CA4
SCHEMBL13800708 0.72 HSP90AA1 (0.46) TSHRALOX15HSP90AA1CA2CA4
SCHEMBL7153777 0.72 TSHR (0.43) TSHRALOX15HSP90AA1CA2CA4
SCHEMBL808442 0.72 MEN1 (0.39) TSHRHSP90AA1CA2CA4CA5A
SCHEMBL16161052 0.71 G6PC1 (0.40) TSHRALOX15HSP90AA1CA2CA4
SCHEMBL16161099 0.71 G6PC1 (0.36) TSHRALOX15HSP90AA1CA2CA4
SCHEMBL10176540 0.71 HSP90AA1 (0.39) TSHRALOX15HSP90AA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108264532-B Preparation method and intermediate of obeticholic acid 上海现代制药股份有限公司 2021-02-26 — — CN claimed
CN-108264533-B Preparation method and intermediate of obeticholic acid 上海现代制药股份有限公司 2020-12-04 — — CN claimed
EP-3440092-A1 METHOD FOR PREPARING A FARNESOID X RECEPTOR AGONIST Dipharma Francis S.r.l. (IT) 2019-02-13 — — EP claimed
CN-108484481-A A kind of synthetic method of the spiro-compound of dihydro -1H- indenes 遵义医学院 2018-09-04 — — CN claimed
CN-108264533-A A kind of Preparation Method And Their Intermediate of Austria's shellfish cholic acid 上海现代制药股份有限公司 2018-07-10 — — CN claimed
CN-108264532-A A kind of Preparation Method And Their Intermediate of Austria's shellfish cholic acid 上海现代制药股份有限公司 2018-07-10 — — CN claimed
WO-2017174515-A1 METHOD FOR PREPARING A FARNESOID X RECEPTOR AGONIST DIPHARMA FRANCIS S.R.L. (IT) 2017-10-12 — — WO claimed
JP-6199777-A — — None — — JP disclosed
JP-8109191-A — — None — — JP disclosed
EP-3645548-B1 METHODS FOR PREPARING BILE ACIDS MEDYTOX INC (KR) 2023-11-29 — — EP disclosed
US-11807602-B2 Processes for preparing a 3-isopropenyl-6-heptenal compound and a 6- isopropenyl-3-methyl-3,9-decadienyl carboxylate compound, and an intermediate therefor SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-07 — — US disclosed
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-10-31 — — US disclosed
US-20230286902-A1 LIPID NANOPARTICLE COMPOSITION Suzhou Abogen Biosciences Co., Ltd. (CN) 2023-09-14 — — US disclosed
US-4107217-A INTERMEDIATED 3-ALKENALS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-08-15 — — US disclosed
US-4088696-A MULTISTAGE FROM AN ACETYLENIC KETONE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-05-09 — — US disclosed
US-4075241-A 2-(Aryl)-3-(dimethylamino)butyl-3,4,5-trimethoxybenzoates GRUPPO LEPETIT S.P.A. (IT) 1978-02-21 — — US disclosed
US-4045497-A Processes for producing alkenals and intermediates therefor INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-08-30 — — US disclosed
US-4024190-A ORGANO-LEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-05-17 — — US disclosed
US-3988487-A Foodstuff flavoring compositions comprising alkylidene alkenals and processes for preparing same as well as flavoring compositions for use in such foodstuff INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-26 — — US disclosed
US-3970701-A 2-ETHYLIDENE-3-HEXENAL, ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-07-20 — — 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 (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-11807602-B2 Processes for preparing a 3-isopropenyl-6-heptenal compound and a 6- isopropenyl-3-methyl-3,9-decadienyl carboxylate compound, and an intermediate therefor CYP4A11, CYP4F11, HSD11B1 TSHR 2642/4885ALOX15 44/4885HSP90AA1 2352/4885
US-20230286902-A1 LIPID NANOPARTICLE COMPOSITION CETP, NPC1, LCAT TSHR 4385/4885ALOX15 602/4885HSP90AA1 1127/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL TSHR 1624/4885ALOX15 186/4885HSP90AA1 2998/4885

“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.