SCHEMBL6015140

SCHEMBL6015140

Cc1cc(C=O)cc(C)c1I

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.45
CYP2A6 P11509 3/20 0.40
ALDH1A1 P00352 8/20 0.38
ALDH1A3 P47895 2/20 0.38
CYP2C9 P11712 2/20 0.32
TSHR P16473 2/20 0.32
FDPS P14324 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2B6 P20813 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TYR P14679 1/20 0.31

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
SCHEMBL31554021 0.84 KDM4E (0.43) SRCALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL26856769 0.84 KDM4E (0.43) SRCALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL814444 0.78 SRC (0.48) SRCCYP2A6ALDH1A1ALDH1A3CYP2C9
SCHEMBL6740604 0.77 ERN1 (0.45) SRCCYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL9579529 0.76 SRC (0.47) SRCCYP2A6ALDH1A1ALDH1A3CYP2C9
SCHEMBL6380211 0.76 SRC (0.47) SRCCYP2A6ALDH1A1ALDH1A3CYP2C9
SCHEMBL23769421 0.75 SRC (0.39) SRCCYP2A6ALDH1A1ALDH1A3
SCHEMBL1863094 0.74 ALDH1A1 (0.50) SRCCYP2A6ALDH1A1ALDH1A3CYP2C9
SCHEMBL2235190 0.74 CYP3A4 (0.46) SRCCYP2A6ALDH1A1ALDH1A3TSHR
SCHEMBL493981 0.74 SRC (0.45) SRCCYP2A6ALDH1A1ALDH1A3TSHR

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 SRC 4444/4885CYP2A6 2756/4885ALDH1A1 69/4885

“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.