SCHEMBL3440745

SCHEMBL3440745

CC(C)c1cc(C(C)C)c(N)c(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 2/20 0.50
FABP4 P15090 3/20 0.48
FABP3 P05413 2/20 0.48
FABP5 Q01469 1/20 0.46
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
POLB P06746 2/20 0.33
GFER P55789 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL20432611 0.89 GABRA1 (0.47) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL27889312 0.87 GABRA1 (0.45) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL2155099 0.86 GABRA1 (0.38) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL24115940 0.85 GABRA1 (0.43) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL19972016 0.85 GABRA1 (0.43) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL11399190 0.84 GABRA1 (0.42) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL9864155 0.84 FABP4 (0.44) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL19972010 0.84 GABRA1 (0.63) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL3696192 0.82 ALDH1A1 (0.39) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL31553478 0.82 FABP3 (0.40) GABRA1GABRB2FABP4FABP3FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111732542-B Optically pure binaphthyl NN-dioxide ligand and preparation method thereof 南京工业大学 2022-03-08 CN claimed
US-12404292-B2 Amino-imine metal complex and preparation method therefor and application thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2025-09-02 US disclosed
EP-4053138-B1 AMINO-IMINE METAL COMPLEX AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2025-07-16 EP disclosed
EP-3862360-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2024-07-03 EP disclosed
EP-4395520-A2 LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2024-07-03 EP disclosed
CN-117720567-A [ ONN ] tridentate metal complex, preparation method and application thereof 辽宁石油化工大学 2024-03-19 CN disclosed
CN-117624222-A Aza large volume anion-cation complex, preparation method and application thereof 中化学科学技术研究有限公司 2024-03-01 CN disclosed
EP-4306613-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS AND ELECTRONIC DEVICE INCLUDING THE LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2024-01-17 EP disclosed
EP-3792270-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2023-12-13 EP disclosed
EP-4273206-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2023-11-08 EP disclosed
US-5491170-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-02-13 US disclosed
WO-1995032953-A1 AMIDE TETRAZOLE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1995-12-07 WO disclosed
US-5461049-A Treating hypercholesterolemia, atherosclerosis WARNER-LAMBERT COMPANY (US) 1995-10-24 US disclosed
US-5001263-A Formation of ortho-alkylated aromatic amines from N-alkylated aromatic amines AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-03-19 US disclosed
EP-0334332-A1 Ortho-alkylated aromatic amines via gamma alumina catalyst AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-09-27 EP disclosed
EP-0226781-A1 Alkylation of aromatic amines in the presence of acidic, crystalline molecular sieves AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-07-01 EP disclosed
EP-0069065-B1 PROCESS FOR THE ALKYLATION OR ARALKYLATION OF AROMATIC AMINES CIBA-GEIGY AG (CH) 1985-02-13 EP disclosed
US-4436936-A ACID CATALYSTS CIBA-GEIGY CORPORATION (US) 1984-03-13 US disclosed
EP-0069065-A1 Process for the alkylation or aralkylation of aromatic amines CIBA-GEIGY AG (CH) 1983-01-05 EP disclosed
US-4293393-A Use of electrogenerated bases in condensation reactions MONSANTO COMPANY (US) 1981-10-06 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 (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-12404292-B2 Amino-imine metal complex and preparation method therefor and application thereof WEE1, BCAT1, WASF2 GABRA1 1193/4885GABRB2 2120/4885FABP4 2971/4885

“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.