SCHEMBL1006929

SCHEMBL1006929

CC(C)(C)c1ccc(C[O])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
APP P05067 1/20 0.47
LMNA P02545 1/20 0.46
TYR P14679 1/20 0.46
KCNH2 Q12809 1/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
EPHX2 P34913 5/20 0.43
NR1H4 Q96RI1 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GRIA4 P48058 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NR4A2 P43354 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 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
SCHEMBL28412839 0.93 KIF11 (0.50) TSHRTP53APPLMNATYR
SCHEMBL14838173 0.82 KCNH2 (0.53) TSHRTP53APPLMNATYR
SCHEMBL8053567 0.80 KCNH2 (0.52) TSHRTP53APPLMNAKCNH2
SCHEMBL3670168 0.79 TSHR (0.48) TSHRTP53APPLMNATYR
SCHEMBL21633775 0.78 NPC1 (0.46) TSHRTP53APPLMNAKCNH2
SCHEMBL7456580 0.78 KCNH2 (0.59) TSHRTP53LMNATYRKCNH2
SCHEMBL348623 0.78 TSHR (0.52) TSHRTP53APPLMNATYR
SCHEMBL21633797 0.77 SHBG (0.57) TSHRTP53APPLMNAKCNH2
SCHEMBL424728 0.76 TSHR (0.73) TSHRLMNATYRBCHEACHE
SCHEMBL5358862 0.76 ALDH1A1 (0.37) TSHRTP53CA2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116730973-B 4-tert-butyl benzyloxy substituted calixarene crown ether compound as well as preparation method and application thereof 兰州大学 2023-10-20 CN claimed
CN-116730973-A 4-tert-butyl benzyloxy substituted calixarene crown ether compound as well as preparation method and application thereof 兰州大学 2023-09-12 CN claimed
CN-115572278-B Genipin derivative and preparation method and application thereof 北京志道生物科技有限公司 2023-09-01 CN claimed
CN-115572278-A Genipin derivative and preparation method and application thereof 北京志道生物科技有限公司 2023-01-06 CN claimed
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US claimed
US-20100081708-A1 ANTICOAGULANT COMPOUNDS ENDOTIS PHARMA (FR) 2010-04-01 US claimed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US claimed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP claimed
EP-1908768-A1 Anticoagulant compounds Endotis Pharma (FR) 2008-04-09 EP claimed
EP-1003775-B1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM CA LTD (CA) 2005-03-16 EP claimed
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-01 US claimed
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-02-13 US claimed
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
US-6187504-B1 PHOTOSENSITIVE BLEND CONTAINING A NAPHTHALENE SULFONIUM SULFONATE DERIVATIVE PHOTOACID GENERATOR, RESIN HAVING ALKALI INSOLUBLE GROUPS CLEAVABLE BY ACID, AN ALKALI SOLUBLE RESIN AND A SOLUBILITY CONTROL AGENT; POSITIVES, RESOLUTION JSR CORPORATION (JP) 2001-02-13 US claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
US-4931455-A Alkylaminopyrimidine derivative and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES, LTD. (JP) 1990-06-05 US claimed
US-4742073-A ANTIGLAUCOMA BUNDGAARD HANS (DK) 1988-05-03 US claimed
EP-0106541-A2 Pilocarpine prodrugs Bundgaard, Hans (DK) 1984-04-25 EP 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 (6 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 TSHR 4666/4885TP53 2519/4885APP 2/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP TSHR 4233/4885TP53 4313/4885APP 1302/4885
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TSHR 3307/4885TP53 4523/4885APP 2035/4885
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PCTP TSHR 2481/4885TP53 4751/4885APP 1714/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP TSHR 4329/4885TP53 4423/4885APP 1268/4885
US-20100081708-A1 ANTICOAGULANT COMPOUNDS SERPINC1, F2, FUT5 TSHR 1432/4885TP53 4379/4885APP 3514/4885

“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.