SCHEMBL4376010

SCHEMBL4376010

C=CCC(=C)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
AKR1B1 P15121 1/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
MAOB P27338 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTBP2 P56545 1/20 0.35

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
SCHEMBL2241627 0.81 CES1 (0.55) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL12015731 0.81 CES1 (0.46) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL8673012 0.80 CES1 (0.44) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL7938314 0.80 CES1 (0.44) CES1CES2AKR1B1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL574785 0.79 CES1 (0.52) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL2456680 0.77 CES1 (0.52) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL7211952 0.77 CES1 (0.41) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL9860999 0.76 CES1 (0.47) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL9709391 0.76 CES1 (0.47) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL10874231 0.76 PAM (0.53) CES1CES2AKR1B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098410-A1 Trimethine Dimer Compound and Optical Recording Medium Using the Same MITSUI CHEMICALS, INC. (JP) 2009-04-16 US claimed
EP-1900779-A1 TRIMETHINE DIMER COMPOUND AND OPTICAL RECORDING MEDIUM USING SAME Mitsui Chemicals, Inc. (JP) 2008-03-19 EP claimed
US-20090098410-A1 Trimethine Dimer Compound and Optical Recording Medium Using the Same MITSUI CHEMICALS, INC. (JP) 2009-04-16 US disclosed
US-20090098410-A1 Trimethine Dimer Compound and Optical Recording Medium Using the Same MITSUI CHEMICALS, INC. (JP) 2009-04-16 US disclosed
CN-101175822-A Trimethine dimer compound and optical recording medium using the same MITSUI CHEMICALS INC (JP) 2008-05-07 CN disclosed
EP-1900779-A1 TRIMETHINE DIMER COMPOUND AND OPTICAL RECORDING MEDIUM USING SAME Mitsui Chemicals, Inc. (JP) 2008-03-19 EP disclosed
EP-1900779-A1 TRIMETHINE DIMER COMPOUND AND OPTICAL RECORDING MEDIUM USING SAME Mitsui Chemicals, Inc. (JP) 2008-03-19 EP disclosed
WO-2006123807-A1 TRIMETHINE DIMER COMPOUND AND OPTICAL RECORDING MEDIUM USING SAME MITSUI CHEMICALS, INC. (JP) 2006-11-23 WO disclosed
US-4539373-A CROSSLINKED ANIONIC AND CATIONIC POLYMERS; MOLDING MATERIALS THE DOW CHEMICAL COMPANY (US) 1985-09-03 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-20090098410-A1 Trimethine Dimer Compound and Optical Recording Medium Using the Same TXNL1, TMCO1, TFPI2 CES1 2942/4885CES2 1398/4885AKR1B1 3520/4885

“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.