SCHEMBL4140338

SCHEMBL4140338

CCC(=O)C(C)(C)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.35
FFAR3 O14843 1/20 0.35
GAA P10253 1/20 0.33

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
SCHEMBL2545646 0.84 ALDH1A1 (0.41) TDP1ALDH1A1FFAR3
SCHEMBL20917016 0.78 TDP1 (0.38) TDP1ALDH1A1FFAR3
SCHEMBL25307640 0.78 CES1 (0.41) ALDH1A1FFAR3
SCHEMBL10693856 0.77 TDP1 (0.42) TDP1ALDH1A1FFAR3GAA
SCHEMBL1022151 0.77 FFAR3 (0.42) TDP1ALDH1A1FFAR3
SCHEMBL8439817 0.77 LMNA (0.35) LMNAGAA
Butanone SCHEMBL28048642 0.75 ALDH1A1 (0.67) TDP1ALDH1A1LMNAFFAR3GAA
SCHEMBL901732 0.74 TDP1 (0.33) TDP1ALDH1A1FFAR3
SCHEMBL2864735 0.74 TDP1 (0.40) TDP1ALDH1A1FFAR3GAA
SCHEMBL13684732 0.74 TDP1 (0.33) TDP1ALDH1A1LMNAFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250040581-A1 FLAVOR COMPOSITIONS GIVAUDAN SA (CH) 2025-02-06 US claimed
EP-4444109-A2 FLAVOR COMPOSITIONS Givaudan SA (CH) 2024-10-16 EP claimed
CN-118325204-A Low-temperature-rise rubber and carbon black composition and preparation method thereof 华南理工大学 2024-07-12 CN claimed
WO-2023104468-A2 FLAVOR COMPOSITIONS GIVAUDAN SA (CH) 2023-06-15 WO claimed
US-20250040581-A1 FLAVOR COMPOSITIONS GIVAUDAN SA (CH) 2025-02-06 US disclosed
EP-4444109-A2 FLAVOR COMPOSITIONS Givaudan SA (CH) 2024-10-16 EP disclosed
CN-118325204-A Low-temperature-rise rubber and carbon black composition and preparation method thereof 华南理工大学 2024-07-12 CN disclosed
WO-2023104468-A2 FLAVOR COMPOSITIONS GIVAUDAN SA (CH) 2023-06-15 WO disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20120316348-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2012-12-13 US disclosed
US-20090294876-A1 METHOD FOR DEPOSITION OF AN ULTRA-THIN ELECTROPOSITIVE METAL-CONTAINING CAP LAYER INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-12-03 US disclosed
US-20090008725-A1 METHOD FOR DEPOSITION OF AN ULTRA-THIN ELECTROPOSITIVE METAL-CONTAINING CAP LAYER INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-01-08 US disclosed
US-20040086747-A1 Azepine compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-05-06 US disclosed
US-6540974-B2 Process for making mixed metal oxides AGERE SYSTEMS INC. 2003-04-01 US disclosed
US-20010040785-A1 Thin film deposition of mixed metal oxides HILCO PATENT ACQUISITION 56, LLC 2001-11-15 US disclosed
US-6312565-B1 Thin film deposition of mixed metal oxides AGERE SYSTEMS GUARDIAN CORP. 2001-11-06 US disclosed
US-5773486-A USING A KETONE AS PHOTOINITIATOR LUCENT TECHNOLOGIES INC. (US) 1998-06-30 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-20120316348-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF DHPS, THPO, CYP11B1 TDP1 3172/4885ALDH1A1 134/4885LMNA 3603/4885
US-20040086747-A1 Azepine compounds AZI2, CHRM1, CPNE4 TDP1 3401/4885ALDH1A1 540/4885LMNA 1524/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 TDP1 3315/4885ALDH1A1 3966/4885LMNA 4392/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TDP1 3152/4885ALDH1A1 3872/4885LMNA 4275/4885

“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.