SCHEMBL281

SCHEMBL281

COC(=O)c1cccc(I)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.56
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
HCRTR1 O43613 1/20 0.54
HCRTR2 O43614 1/20 0.54
RAB9A P51151 3/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA7 P43166 1/20 0.50
XDH P47989 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL7451795 1.00 TSHR (0.57) TSHRLOXL2CYP4F2CYP4A11HCRTR1
SCHEMBL29732178 1.00 TSHR (0.57) TSHRLOXL2CYP4F2CYP4A11HCRTR1
Hydrochloric Acid SCHEMBL11231916 0.98 TSHR (0.55) TSHRLOXL2CYP4F2CYP4A11HCRTR1
SCHEMBL7358622 0.93 KDM4E (0.57) TSHRLOXL2CYP4F2CYP4A11HCRTR1
SCHEMBL34953 0.85 TSHR (0.70) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL13949640 0.85 HDAC1 (0.54) TSHRRAB9APOLBALDH1A1NPC1
SCHEMBL11264665 0.83 HDAC1 (0.42) LOXL2CYP4F2CYP4A11HCRTR1HCRTR2
SCHEMBL8054504 0.83 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
Methyl Alcohol SCHEMBL28469619 0.83 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL29966404 0.83 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178092-B Preparation method of 1, 4-tetraphenyl-1, 3-butadiene and derivatives thereof 苏州大学 2024-11-22 CN claimed
CN-114920736-B Quinoline ring-containing 1,2, 4-oxadiazole substituted benzamide compound and preparation method and application thereof 浙江工业大学 2024-01-30 CN claimed
CN-114656461-B Quinoline ring-containing 1,2, 4-oxadiazole substituted benzamide compound and synthetic method and application thereof 浙江工业大学 2024-01-30 CN claimed
CN-116178092-A Preparation method of 1, 4-tetraphenyl-1, 3-butadiene and derivatives thereof 苏州大学 2023-05-30 CN claimed
CN-112939829-B Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2023-02-21 CN claimed
CN-115286622-A Quinoline ring-containing 1,2, 4-oxadiazole substituted benzamide compound and preparation method and application thereof 浙江工业大学 2022-11-04 CN claimed
CN-115260175-A 5- (pyrazole-5-yl) -1,2,4-oxadiazole substituted benzamide compound and preparation method and application thereof 浙江工业大学 2022-11-01 CN claimed
CN-114920736-A Quinoline ring-containing 1,2, 4-oxadiazole-substituted benzamide compound and preparation method and application thereof 浙江工业大学 2022-08-19 CN claimed
CN-114920734-A 5- (pyrazole-5-yl) -1,2, 4-oxadiazole substituted benzamide compounds and preparation method and application thereof 浙江工业大学 2022-08-19 CN claimed
CN-114656461-A Quinoline ring-containing 1,2, 4-oxadiazole-substituted benzamide compound and synthetic method and application thereof 浙江工业大学 2022-06-24 CN claimed
CN-110407710-B Triphenylamine derivative pure organic room temperature phosphorescent material and preparation method thereof 香港科技大学深圳研究院 2022-05-06 CN claimed
CN-113731506-A Method for assisting palladium-catalyzed C-H arylation reaction of aliphatic aldehyde by calix [4] arene amide compound 常州大学 2021-12-03 CN claimed
CN-112939829-A Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2021-06-11 CN claimed
CN-112724177-A Ring metal iridium complex and preparation method and application thereof 四川大学 2021-04-30 CN claimed
CN-109400635-A A kind of asymmetric double degree of functionality carborane derivative and preparation method and application 北京航空航天大学 2019-03-01 CN claimed
US-4328162-A Process for preparing 9,11-unsaturated steroidal compound from the corresponding saturated steroidal compound EASTMAN KODAK COMPANY (US) 1982-05-04 US claimed
CN-122071464-A Heterocyclic compound, pharmaceutical composition thereof and application thereof 上海璎黎药业有限公司 2026-05-22 CN disclosed
US-12629374-B2 Antimalarial agents MERCK SHARP & DOHME LLC (US) 2026-05-19 US disclosed
US-4214004-A MITICIDES FMC CORPORATION (US) 1980-07-22 US disclosed
WO-1980001163-A1 INSECTICIDAL CYCLOPROPANECARBOXYLATES FROM SUBSTITUTED(1,1'-BIPHENYL)-3-YLMETHYL COMPOUNDS FMC CORP (US) 1980-06-12 WO 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-12629374-B2 Antimalarial agents CLIC1, CYC1, HCCS TSHR 2452/4885LOXL2 2918/4885CYP4F2 623/4885

“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.