SCHEMBL8619956

SCHEMBL8619956

ICCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
CASP1 P29466 1/20 0.54
HSD17B10 Q99714 1/20 0.54
FFAR1 O14842 2/20 0.50
HDAC2 Q92769 2/20 0.49
FDFT1 P37268 2/20 0.49
TAAR1 Q96RJ0 2/20 0.48
HDAC1 Q13547 1/20 0.47
KCNH2 Q12809 1/20 0.46
MAOB P27338 2/20 0.45
HTR2A P28223 1/20 0.45
HSD11B1 P28845 1/20 0.44
MMP12 P39900 1/20 0.44
ABCC4 O15439 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 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
SCHEMBL8622458 1.00 ALDH1A1 (0.54) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4533203 0.98 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL8620569 0.91 HDAC2 (0.53) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6502732 0.88 ALDH1A1 (0.70) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL384760 0.85 ALDH1A1 (0.74) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL30869989 0.85 HDAC2 (0.60) FFAR1HDAC2FDFT1TAAR1HDAC1
SCHEMBL7544128 0.83 ALDH1A1 (0.70) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL9826765 0.83 HTR2A (0.62) FFAR1HDAC2FDFT1TAAR1HDAC1
SCHEMBL5540653 0.82 FFAR1 (0.55) FFAR1HDAC2FDFT1TAAR1HDAC1
SCHEMBL8947047 0.80 RARB (0.56) ALDH1A1HPGDHSD17B10FDFT1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US disclosed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US disclosed
EP-0601573-A1 Alpha-phosphonocarboxylate squalene synthetase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP disclosed
US-5312814-A Antilipemic agents or anticholesterol agents BRISTOL-MYERS SQUIBB CO. (US) 1994-05-17 US disclosed
EP-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
US-5157027-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP ALDH1A1 4784/4885HPGD 3631/4885ALOX15 565/4885

“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.