SCHEMBL7066039

SCHEMBL7066039

c1ccc2c(c1)CCCCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ ITGB2 P05107 1/20 0.48
▸ ICAM1 P05362 1/20 0.48
▸ ITGAL P20701 1/20 0.48
▸ LMNA P02545 2/20 0.43
▸ CRHBP P24387 2/20 0.43
▸ CRHR2 Q13324 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ OXTR P30559 1/20 0.41
▸ CTNNB1 P35222 3/20 0.41
▸ WNT3A P56704 3/20 0.41
▸ CLK1 P49759 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL7064352 1.00 TSHR (0.50) TSHRITGB2ICAM1ITGALLMNA
SCHEMBL16340888 0.98 TSHR (0.52) TSHRITGB2ICAM1ITGALLMNA
SCHEMBL27493 0.98 TSHR (0.52) TSHRITGB2ICAM1ITGALLMNA
Fluoride SCHEMBL28202465 0.91 ITGB2 (0.52) TSHRITGB2ICAM1ITGALLMNA
SCHEMBL28007596 0.91 ITGB2 (0.52) TSHRITGB2ICAM1ITGALLMNA
SCHEMBL8447 0.91 ITGB2 (0.52) TSHRITGB2ICAM1ITGALLMNA
SCHEMBL29356442 0.91 ITGB2 (0.52) TSHRITGB2ICAM1ITGALLMNA
SCHEMBL5313090 0.91 ITGB2 (0.52) TSHRITGB2ICAM1ITGALLMNA
Water SCHEMBL7527071 0.89 ITGB2 (0.50) TSHRITGB2ICAM1ITGALLMNA
SCHEMBL7650589 0.89 ITGB2 (0.50) TSHRITGB2ICAM1ITGALLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004753-B1 PREPARATION OF TETRAHYDROBENZOXOCINS AND CIS-HEXAHYDRODIBENZOPYRANONES ELI LILLY AND COMPANY (US) 1982-05-26 — — EP claimed
EP-0004753-A1 Preparation of tetrahydrobenzoxocins and cis-hexahydrodibenzopyranones ELI LILLY AND COMPANY (US) 1979-10-17 — — EP claimed
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 — — US disclosed
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 — — US disclosed
WO-2017189613-A1 METHODS OF USING FASN INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-11-02 — — WO disclosed
EP-3133071-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2017-02-22 — — EP disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 — — US disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 — — US disclosed
WO-2015158206-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF 上海迪诺医药科技有限公司 2015-10-22 — — WO disclosed
EP-2516008-B1 NOVEL ANTIVIRAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-04-16 — — EP disclosed
EP-0901787-B1 Stabilized pharmaceutical composition TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 — — EP disclosed
WO-1998031356-A1 IDEBENONE CONTAINING COMBINATION AGENT FOR TREATING ALZHEIMER'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-23 — — WO disclosed
EP-0487071-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-07-05 — — EP disclosed
US-5273974-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-28 — — US disclosed
WO-1992009284-A1 2,6-METHANO-2H-1-BENZOXOCINCARBOXAMIDES AS 5-HT3-ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-06-11 — — WO disclosed
EP-0487071-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-27 — — EP disclosed
EP-0004753-B1 PREPARATION OF TETRAHYDROBENZOXOCINS AND CIS-HEXAHYDRODIBENZOPYRANONES ELI LILLY AND COMPANY (US) 1982-05-26 — — EP disclosed
EP-0004753-B1 PREPARATION OF TETRAHYDROBENZOXOCINS AND CIS-HEXAHYDRODIBENZOPYRANONES ELI LILLY AND COMPANY (US) 1982-05-26 — — EP disclosed
EP-0004753-A1 Preparation of tetrahydrobenzoxocins and cis-hexahydrodibenzopyranones ELI LILLY AND COMPANY (US) 1979-10-17 — — EP disclosed
EP-0004753-A1 Preparation of tetrahydrobenzoxocins and cis-hexahydrodibenzopyranones ELI LILLY AND COMPANY (US) 1979-10-17 — — 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 (1 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-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SLC5A2, SLC5A1, MGAT1 TSHR 3338/4885ITGB2 1278/4885ICAM1 3847/4885

“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.

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