SCHEMBL45886

SCHEMBL45886

CCc1cc(O)c(CC)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.47
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
SHBG P04278 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
THRB P10828 2/20 0.43
KMT2A Q03164 2/20 0.43
HKDC1 Q2TB90 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL14395025 0.90 MCL1 (0.47) MCL1ALOX15ALOX12ESR1ESR2
SCHEMBL69488 0.87 ALOX15 (0.52) MCL1ALOX15ALOX12ESR1ESR2
SCHEMBL30309307 0.87 MCL1 (0.48) MCL1ALOX15ALOX12ESR1ESR2
SCHEMBL4092415 0.87 MCL1 (0.48) MCL1ALOX15ALOX12ESR1ESR2
SCHEMBL1760478 0.87 ALOX15 (0.54) MCL1ALOX15ALOX12ESR1ESR2
SCHEMBL11076422 0.85 NPSR1 (0.50) MCL1ALOX15ALOX12ESR1ESR2
SCHEMBL69992 0.85 SHBG (0.47) MCL1ALOX15ALOX12ESR1ESR2
SCHEMBL9231605 0.85 KDM4E (0.50) MCL1ALOX15ALOX12ESR1ESR2
SCHEMBL30979259 0.85 ALOX15 (0.45) MCL1ALOX15ALOX12ESR1ESR2
SCHEMBL16122784 0.85 ALOX15 (0.45) MCL1ALOX15ALOX12ESR1ESR2

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-115697954-A Polymerization inhibitor 巴斯夫欧洲公司 2023-02-03 CN disclosed
US-8067403-B2 Methods and systems for preparing an antimicrobial composition ALLACCEM, INC. (US) 2011-11-29 US disclosed
US-7776993-B2 Underfilling with acid-cleavable acetal and ketal epoxy oligomers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-08-17 US disclosed
US-7776993-B2 Underfilling with acid-cleavable acetal and ketal epoxy oligomers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-08-17 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition ALLACCEM, INC. 2008-01-24 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-20080021212-A1 Methods and systems for preparing an antimicrobial composition DNMT1, TET2, POLR1C MCL1 133/4885ALOX15 4536/4885ALOX12 4549/4885

“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.