SCHEMBL6015171

SCHEMBL6015171

CC(C)c1ccc(C=O)cc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.47
ALDH1A1 P00352 9/20 0.38
ALDH1A3 P47895 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2A6 P11509 5/20 0.37
TDP1 Q9NUW8 2/20 0.35
AOX1 Q06278 1/20 0.35
TRIM24 O15164 1/20 0.35
HPGD P15428 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
FDPS P14324 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6015150 0.84 TYR (0.47) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL9231758 0.81 TYR (0.52) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL29818656 0.78 TYR (0.48) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL3117644 0.78 TYR (0.48) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL8031911 0.78 TYR (0.48) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL9945904 0.76 TYR (0.47) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL29951527 0.76 KDM4E (0.57) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL6015144 0.76 ALDH1A3 (0.47) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL6015145 0.76 ALDH1A1 (0.57) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL3432659 0.76 KDM4E (0.57) TYRALDH1A1ALDH1A3TSHRKDM4E

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-6984740-B2 Symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same MILLIKEN & COMPANY (US) 2006-01-10 US disclosed
EP-1425342-A4 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & CO (US) 2005-01-05 EP disclosed
EP-1425342-A2 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME Milliken & Company (US) 2004-06-09 EP disclosed
US-20030127631-A1 Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same ANDERSON JOHN D (US) 2003-07-10 US disclosed
US-6547988-B2 Plastic additives which are useful as nucleating agents and which are especially useful for improving the optical properties of polymeric materials; also useful as gelling agents for water and organic solvents MILLIKEN & COMPANY 2003-04-15 US disclosed
US-20030008951-A1 Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same MILLIKEN & COMPANY 2003-01-09 US disclosed
WO-2002077086-A2 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-10-03 WO 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-20030008951-A1 Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same ADH1C, ADH1A, ALDOA TYR 1955/4885ALDH1A1 69/4885ALDH1A3 55/4885

“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.