SCHEMBL6015169

SCHEMBL6015169

Cc1cc(C=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=Cc2ccc(Cl)c(C)c2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTGS1 P23219 2/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ MEN1 O00255 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ S1PR1 P21453 1/20 0.30

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
SCHEMBL28654142 0.90 PDE4A (0.33) KMT2ASMN1; SMN2MCL1MEN1
SCHEMBL6015157 0.87 CYP3A4 (0.36) KMT2ASMN1; SMN2PTGS1PTGS2ALOX5
SCHEMBL1406219 0.84 ALDH1A1 (0.44) KMT2A
SCHEMBL34956 0.84 TUBB1 (0.37) KMT2ASMN1; SMN2PTGS1PTGS2ALOX5
SCHEMBL29373037 0.84 TUBB1 (0.37) KMT2ASMN1; SMN2PTGS1PTGS2ALOX5
SCHEMBL20599343 0.84 TUBB1 (0.37) KMT2ASMN1; SMN2PTGS1PTGS2ALOX5
SCHEMBL7117533 0.81 TUBB1 (0.37) KMT2ASMN1; SMN2PTGS1PTGS2ALOX5
SCHEMBL5231765 0.80 GABRA1 (0.46) PTGS1PTGS2ALOX5
SCHEMBL6311091 0.80 KCNA3 (0.34) —
SCHEMBL6439481 0.80 KCNA3 (0.34) —

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 10 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 claimed
US-20030127631-A1 Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same ANDERSON JOHN D (US) 2003-07-10 — — US claimed
US-20030008951-A1 Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same MILLIKEN & COMPANY 2003-01-09 — — US claimed
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 KMT2A 2085/4885SMN1; SMN2 3133/4885PTGS1 4127/4885

“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.

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