SCHEMBL28414

SCHEMBL28414

c1ccc(C2CCCO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
NLRP3 Q96P20 1/20 0.44
KCNH2 Q12809 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
KIF11 P52732 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38

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
SCHEMBL17414393 1.00 TSHR (0.56) TSHRSMN1; SMN2GAANLRP3KCNH2
SCHEMBL28318493 0.98 TSHR (0.54) TSHRSMN1; SMN2GAANLRP3KCNH2
Water SCHEMBL7156214 0.98 TSHR (0.54) TSHRSMN1; SMN2GAANLRP3KCNH2
SCHEMBL28416 0.93 TSHR (0.54) TSHRSMN1; SMN2GAANLRP3KCNH2
SCHEMBL18388973 0.93 TSHR (0.54) TSHRSMN1; SMN2GAANLRP3KCNH2
SCHEMBL18215382 0.93 TSHR (0.54) TSHRSMN1; SMN2GAANLRP3KCNH2
Trimethylammonium SCHEMBL14720864 0.92 TSHR (0.48) TSHRSMN1; SMN2GAANLRP3KCNH2
SCHEMBL1266842 0.91 TSHR (0.52) TSHRSMN1; SMN2GAANLRP3KCNH2
Aluminum Chloride Anhydrous SCHEMBL27976113 0.89 TSHR (0.45) TSHRSMN1; SMN2GAANLRP3KCNH2
SCHEMBL1195857 0.88 TSHR (0.64) TSHRSMN1; SMN2SLC6A2SLC6A4SLC6A3

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 1108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117802324-B Method for efficiently extracting active lithium from negative electrode of waste lithium battery 华中科技大学 2025-01-14 CN claimed
CN-118943306-A Zinc metastanniate negative electrode material and preparation method and application thereof 中国地质大学(武汉) 2024-11-12 CN claimed
WO-2024088400-A1 PHOSPHORUS-CONTAINING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USE THEREOF 勤浩医药(苏州)有限公司 2024-05-02 WO claimed
WO-2024088399-A1 PHOSPHORUS-CONTAINING COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 勤浩医药(苏州)有限公司 2024-05-02 WO claimed
US-20240122941-A1 THERAPY BASED ON SYNTHETIC LETHALITY IN SWI/SNF COMPLEX-DYSFUNCTION CANCER NATIONAL CANCER CENTER (JP) 2024-04-18 US claimed
CN-117802324-A Method for efficiently extracting active lithium from negative electrode of waste lithium battery 华中科技大学 2024-04-02 CN claimed
CN-117790961-A Method for directly recycling and regenerating waste energy storage lithium battery by using regeneration liquid 华中科技大学 2024-03-29 CN claimed
CN-117393705-A Chemical prelithiation method for preparing organic anode material with high first coulombic efficiency 重庆理工大学 2024-01-12 CN claimed
CN-115000489-A Interface regulation liquid for prelithiation electrode, preparation method and application 中国科学院物理研究所 2022-09-02 CN claimed
CN-112490394-B Chemical prelithiation method for graphite electrode of lithium ion battery 武汉大学 2022-03-25 CN claimed
US-20120184742-A1 PROCESS OF MAKING GYRASE AND TOPOISOMERASE IV INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US claimed
WO-2012097274-A1 PROCESS OF MAKING GYRASE AND TOPOISOMERASE IV INHIBITORS VERTEX PHARMACEUTICALS INCORPORATION (US) 2012-07-19 WO claimed
US-7825146-B2 Sulfonamide derivative having isoxazole ring SHIONOGI & CO., LTD. (JP) 2010-11-02 US claimed
EP-1435957-B1 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMA (US) 2009-06-17 EP claimed
CN-101089231-A Electrolytic oxidation coupling of aryl-1,3-dicarbonyl compound and oxolane type high efficient PAF antagonist (anti)-2-5 II (3,4,5 trimethoxyphenyl) oxolane and synthesis method of its analogue YUNAN UNIV (CN) 2007-12-19 CN claimed
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP claimed
US-20030095958-A1 Inhibitors of bace VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US claimed
US-6503926-B2 Nitrogen heterocycle compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-01-07 US claimed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO claimed
US-6288083-B1 ADMINISTERING COMOUNDS SUCH AS 4-(4-CHLOROPHENYL)-1-(4-(3-METHOXYPHENYL)-4-(3-PYRIDINYL)-3 -BUTENYL)PIPERIDIN-4-OL TO TREAT DISEASES ASSOCIATED WITH ABERRANT LEUKOCYTE RECRUITMENT AND/OR ACTIVATION MILLENNIUM PHARMACEUTICALS, INC. 2001-09-11 US claimed

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-20030095958-A1 Inhibitors of bace BACE2, BACE1, APP TSHR 4868/4885SMN1; SMN2 1876/4885GAA 38/4885
US-20120184742-A1 PROCESS OF MAKING GYRASE AND TOPOISOMERASE IV INHIBITORS TOP1, TOP2A, TOP2B TSHR 3707/4885SMN1; SMN2 4216/4885GAA 619/4885
US-20240122941-A1 THERAPY BASED ON SYNTHETIC LETHALITY IN SWI/SNF COMPLEX-DYSFUNCTION CANCER SMARCC1, SMARCA4, SMARCC2 TSHR 3169/4885SMN1; SMN2 914/4885GAA 2604/4885

“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.