SCHEMBL855690

SCHEMBL855690

CC(C)(C)C(=O)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.63
CES2 O00748 1/20 0.56
AKR1B1 P15121 1/20 0.56
HSD11B1 P28845 1/20 0.50
PAM P19021 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TSHR P16473 2/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
CTBP2 P56545 1/20 0.45
EPHX2 P34913 1/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL18751674 0.88 CES1 (0.46) CES1CES2AKR1B1HSD11B1TSHR
SCHEMBL12895712 0.88 LMNA (0.62) CES1MEN1KMT2ATSHRALDH1A1
SCHEMBL18116111 0.84 CA2 (0.56) CES1AKR1B1TSHRPOLBALDH1A1
SCHEMBL7558091 0.84 CES1 (0.61) CES1CES2AKR1B1PAMMEN1
SCHEMBL18751676 0.84 CYP1A2 (0.46) CES1CES2AKR1B1HSD11B1POLB
SCHEMBL1898937 0.84 CES1 (0.50) CES1CES2AKR1B1HSD11B1MEN1
SCHEMBL12902954 0.83 CES1 (0.59) CES1CES2AKR1B1PAMMEN1
SCHEMBL2235168 0.83 CES1 (0.59) CES1CES2AKR1B1PAMMEN1
SCHEMBL16405134 0.83 CES1 (0.70) CES1CES2AKR1B1PAMMEN1
SCHEMBL18116097 0.82 CYP1A2 (0.57) CES1AKR1B1TSHRPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106348990-B A method of synthesis 1,2,2- triaryl ethyl ketone and its derivative 兰州大学 2019-10-18 CN claimed
US-12037337-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-07-16 US disclosed
US-12037337-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-07-16 US disclosed
US-20240237518-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-07-11 US disclosed
US-20240237518-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-07-11 US disclosed
US-20240218115-A1 BRANCHED POLY(3-HYDROXYPROPIONIC ACID)POLYMER, AND METHOD FOR PREPARATION THEREOF LG CHEM, LTD. (KR) 2024-07-04 US disclosed
US-20240218115-A1 BRANCHED POLY(3-HYDROXYPROPIONIC ACID)POLYMER, AND METHOD FOR PREPARATION THEREOF LG CHEM, LTD. (KR) 2024-07-04 US disclosed
US-20240215441-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-06-27 US disclosed
US-20240208991-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD (KR) 2024-06-27 US disclosed
US-20240208991-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD (KR) 2024-06-27 US disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed
US-4147791-A 1-Substituted-1,2,4-triazole fungicidal compositions and methods for combatting fungi that infect or attack plants BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 US disclosed
US-4060623-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 US disclosed
US-4048318-A 1-Substituted-1,2,4-triazole fungicides BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed
US-4038404-A 1,2,4-TRIAZOLE ANTIMYCOTIC COMPOSITIONS AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4038406-A 1,2,4-TRIAZOLE ANTIMYCOTIC COMPOSITIONS AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4036967-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-4036966-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-4002763-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 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 (3 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-20240208991-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CCNL2, UBE2L3 CES1 1756/4885CES2 1979/4885AKR1B1 2913/4885
US-12037337-B2 Compound and organic light emitting device comprising the same CRY1, CRY2, C1S CES1 1337/4885CES2 2187/4885AKR1B1 1754/4885
US-20240215441-A1 ORGANIC LIGHT EMITTING DEVICE CRY2, CRY1, AHR CES1 1521/4885CES2 2196/4885AKR1B1 1116/4885

“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.