SCHEMBL728193

SCHEMBL728193

Cc1ccc(C#CCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KCNH2 Q12809 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ FFAR1 O14842 1/20 0.44
▸ GABRP O00591 1/20 0.44
▸ GABRD O14764 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRB1 P18505 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
SCHEMBL6446069 0.87 MMP2 (0.55) HTTL3MBTL1POLBALDH1A1LMNA
SCHEMBL12223986 0.85 MMP2 (0.43) HTTL3MBTL1KCNH2MEN1KMT2A
SCHEMBL12926556 0.82 GABRP (0.46) HTTL3MBTL1KCNH2MEN1KMT2A
SCHEMBL9672111 0.80 MMP2 (0.50) L3MBTL1POLBALDH1A1LMNAMMP2
SCHEMBL25175683 0.79 GABRP (0.50) HTTL3MBTL1KCNH2MEN1KMT2A
SCHEMBL11214760 0.78 APP (0.50) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL17578918 0.78 KCNH2 (0.55) HTTL3MBTL1KCNH2MEN1KMT2A
SCHEMBL80450 0.77 CYP2A6 (0.50) ALDH1A1LMNAMMP2MMP12SMN1; SMN2
SCHEMBL139332 0.77 ALDH1A1 (0.46) HTTL3MBTL1KCNH2MEN1KMT2A
SCHEMBL7038938 0.76 CYP2C19 (0.60) HTTL3MBTL1KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 — — CN claimed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 — — CN claimed
CN-118754798-A Preparation method for preparing propargyl chloride-containing compound by chlorination of phosphorus pentachloride 上海奥普迪诗化学科技有限公司 2024-10-11 — — CN disclosed
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 — — CN disclosed
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 — — US disclosed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 — — CN disclosed
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 — — US disclosed
CN-115806471-A Preparation method for preparing substituted propargyl alcohol by catalyzing paraformaldehyde and alkyne with alkali 延安大学 2023-03-17 — — CN disclosed
CN-110483429-B Preparation method of 3, 5-disubstituted-4, 5-dihydroisoxazole 上海应用技术大学 2022-10-14 — — CN disclosed
CN-111662147-B Process for preparing diynes and analogues thereof 清华大学 2021-08-10 — — CN disclosed
CN-109836410-B (4, 6-diaryl-3, 4-dihydro-2H-thiopyran-3-yl) -aryl ketone and preparation 上海应用技术大学 2021-07-23 — — CN disclosed
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-10-30 — — US disclosed
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-10-30 — — US disclosed
EP-1979311-A2 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS TRANSTECH PHARMA (US) 2008-10-15 — — EP disclosed
US-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-08-14 — — US disclosed
US-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-08-14 — — US disclosed
WO-2007071766-A2 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS TRANSTECH PHARMA (US) 2007-06-28 — — WO disclosed
WO-1995016215-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1995-06-15 — — WO disclosed
US-4996365-A Preparation of alkyl-substituted cinnamaldehydes BASF AKTIENGESELLSCHAFT (DE) 1991-02-26 — — US disclosed
US-4322432-A Cyclopropanecarboxylic acid alkynyl esters, processes for producing them, and their use as pesticides CIBA-GEIGY CORPORATION (US) 1982-03-30 — — 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-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C HTT 44/4885L3MBTL1 2369/4885KCNH2 619/4885
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C HTT 44/4885L3MBTL1 2369/4885KCNH2 619/4885
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 HTT 4717/4885L3MBTL1 2282/4885KCNH2 3203/4885
US-11912686-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 HTT 4717/4885L3MBTL1 2282/4885KCNH2 3203/4885

“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.

Send feedback