SCHEMBL6015153

SCHEMBL6015153

CC(C)c1cc(C=O)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
TYR P14679 1/20 0.52
VCAM1 P19320 1/20 0.46
HSD17B10 Q99714 1/20 0.41
ALDH1A3 P47895 4/20 0.41
ALDH3A1 P30838 2/20 0.41
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 2/20 0.37
PTGER4 P35408 1/20 0.36
TTR P02766 1/20 0.36
TACR2 P21452 1/20 0.36
AOX1 Q06278 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
Ethane SCHEMBL2154115 0.98 ALDH1A1 (0.55) ALDH1A1TYRVCAM1HSD17B10ALDH1A3
SCHEMBL2171378 0.86 ALDH1A1 (0.43) ALDH1A1TYRVCAM1ALDH1A3ALDH3A1
SCHEMBL28896848 0.85 ALDH1A1 (0.53) ALDH1A1TYRVCAM1HSD17B10ALDH1A3
SCHEMBL6015145 0.84 ALDH1A1 (0.57) ALDH1A1TYRVCAM1HSD17B10ALDH1A3
SCHEMBL2154486 0.82 ALDH1A1 (0.40) ALDH1A1TYRALDH1A3ALDH3A1
SCHEMBL9231758 0.81 TYR (0.52) ALDH1A1TYRHSD17B10ALDH1A3TSHR
SCHEMBL9322668 0.78 TYR (0.48) ALDH1A1TYRALDH1A3ALDH3A1TSHR
SCHEMBL29818670 0.78 TYR (0.48) ALDH1A1TYRALDH1A3TSHRKDM4E
SCHEMBL11132185 0.77 ALDH1A1 (0.53) ALDH1A1TYRVCAM1HSD17B10ALDH1A3
SCHEMBL6015149 0.76 TYR (0.47) ALDH1A1TYRALDH1A3ALDH3A1TSHR

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 ALDH1A1 69/4885TYR 1955/4885VCAM1 1394/4885

“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.