SCHEMBL3746086

SCHEMBL3746086

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADRB3 P13945 1/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 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
SCHEMBL15083742 0.81 TSHR (0.36) TSHRLMNAMEN1KMT2AUSP2
SCHEMBL13115051 0.81 TSHR (0.36) TSHRLMNAMEN1KMT2AUSP2
SCHEMBL15203352 0.81 MMP8 (0.37) TSHRLMNAMEN1KMT2AUSP2
SCHEMBL15184278 0.80 MMP8 (0.31) MMP8
SCHEMBL14905847 0.80
SCHEMBL13350013 0.80 DGAT1 (0.46) TSHRLMNACYP3A4HPGDMAPK1
SCHEMBL17617203 0.80 DGAT1 (0.46) TSHRLMNACYP3A4HPGDMAPK1
SCHEMBL17617208 0.78 MMP8 (0.46) TSHRLMNAMEN1KMT2AABCB11
SCHEMBL10244061 0.78 MMP8 (0.46) TSHRLMNAMEN1KMT2AABCB11
SCHEMBL17617170 0.77 TSHR (0.40) TSHRLMNAMEN1KMT2AUSP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101276936-A Non-aqueous electrolyte secondary cell SANYO ELECTRIC CO (JP) 2008-10-01 CN claimed
US-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE API CORPORATION (JP) 2016-03-24 US disclosed
WO-2012142059-A2 PARTICLES COMPRISING VOLATILE MATERIALS AND PARTICLE GAS SATURATED SOLUTION PROCESSES FOR MAKING SAME THE PROCTER & GAMBLE COMPANY (US) 2012-10-18 WO disclosed
US-20120258150-A1 PARTICLES COMPRISING VOLATILE MATERIALS AND PARTICLE GAS SATURATED SOLUTION PROCESSES FOR MAKING SAME THE PROCTER & GAMBLE COMPANY 2012-10-11 US disclosed
US-20100287710-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-11-18 US disclosed
CN-101276936-A Non-aqueous electrolyte secondary cell SANYO ELECTRIC CO (JP) 2008-10-01 CN 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-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE MGMT, GSTA1, CBS TSHR 1898/4885LMNA 4014/4885MEN1 3023/4885

“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.