SCHEMBL1706595

SCHEMBL1706595

COC(=O)CCCCC(C)=O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.70
MGAM O43451 1/20 0.55
GAA P10253 1/20 0.55
SI P14410 1/20 0.55
MGAM2 Q2M2H8 1/20 0.55
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
RECQL P46063 1/20 0.48
PAOX Q6QHF9 3/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 1/20 0.43
CA12 O43570 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL6421942 0.97 TSHR (0.67) TSHRMGAMGAASIMGAM2
SCHEMBL3628963 0.97 TSHR (0.67) TSHRMGAMGAASIMGAM2
SCHEMBL16902770 0.97 TSHR (0.67) TSHRMGAMGAASIMGAM2
SCHEMBL7941508 0.97 TSHR (0.67) TSHRMGAMGAASIMGAM2
SCHEMBL3626724 0.97 TSHR (0.67) TSHRMGAMGAASIMGAM2
SCHEMBL6821595 0.97 TSHR (0.67) TSHRMGAMGAASIMGAM2
SCHEMBL437127 0.95 TSHR (0.79) TSHRMGAMGAASIMGAM2
SCHEMBL11955444 0.93 TSHR (0.61) TSHRMGAMGAASIMGAM2
SCHEMBL22122660 0.91 TSHR (0.58) TSHRMGAMGAASIMGAM2
SCHEMBL10631996 0.89 TSHR (0.56) TSHRLMNAALDH1A1CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026995-A Dihydrotriazole aromatization precursor and application thereof in deacylating and arylating reaction of ketone 国科大杭州高等研究院 2024-05-14 CN claimed
EP-4159727-B1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC INC (US) 2026-04-08 EP disclosed
US-12415796-B2 Inhibitors of (αv)(β6) integrin MORPHIC THERAPEUTIC, INC. (US) 2025-09-16 US disclosed
US-20250223289-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN SCHRODINGER, INC. 2025-07-10 US disclosed
WO-2025129104-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS INC. (US) 2025-06-19 WO disclosed
US-12145935-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2024-11-19 US disclosed
US-20240327378-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2024-10-03 US disclosed
EP-4056670-B1 METHOD FOR FRACTIONATING A SHEA EXTRACT BIOSYNTHIS SARL (FR) 2024-08-21 EP disclosed
US-20240158719-A1 METHOD FOR FRACTIONATING A SHEA EXTRACT BIOSYNTHIS (FR) 2024-05-16 US disclosed
CN-118026995-A Dihydrotriazole aromatization precursor and application thereof in deacylating and arylating reaction of ketone 国科大杭州高等研究院 2024-05-14 CN disclosed
EP-1040098-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-10-04 EP disclosed
WO-2000034254-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-06-15 WO disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US disclosed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed
US-5639780-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1997-06-17 US disclosed
WO-1996037467-A1 N-BENZYLINDOL-3-YL BUTANOIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-11-28 WO disclosed
WO-1995035161-A1 A MEMBRANE REACTOR COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-12-28 WO disclosed
US-4983767-A Vanadium compound as catalyst RHONE-POULENC CHIMIE (FR) 1991-01-08 US disclosed
US-4259527-A OXIDATION OF SECONDARY ALCOHOLS TO KETONES WITH HYDROGEN PEROXIDE ALLIED CHEMICAL CORPORATION (US) 1981-03-31 US disclosed
US-4171313-A OF ALICYCLIC KETONES TO LACTONES, W-HYDROXY ACIDS AND ESTERS USING HYDROGEN PEROXIDE AS AN OXIDIZING AGENT ALLIED CHEMICAL CORPORATION (US) 1979-10-16 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-20240327378-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV TSHR 2084/4885MGAM 892/4885GAA 388/4885
US-20250223289-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV TSHR 2021/4885MGAM 961/4885GAA 346/4885
US-12415796-B2 Inhibitors of (αv)(β6) integrin ITGB6, ITGA6, ITGAV TSHR 2173/4885MGAM 788/4885GAA 451/4885
US-12145935-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV TSHR 1938/4885MGAM 947/4885GAA 325/4885

“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.