SCHEMBL6015160

SCHEMBL6015160

Cc1ccc(C=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=Cc2ccc(C)c(Br)c2)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.34
▸ TSHR P16473 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ ALKBH5 Q6P6C2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TRPA1 O75762 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
SCHEMBL27526471 0.90 PDE4A (0.34) HPGDMEN1KMT2A
SCHEMBL6207638 0.88 CYP1A2 (0.33) NPC1POLBRAB9AALDH1A1ALKBH5
SCHEMBL20599343 0.86 TUBB1 (0.37) NPC1POLBRAB9AALDH1A1MEN1
SCHEMBL29373037 0.86 TUBB1 (0.37) NPC1POLBRAB9AALDH1A1MEN1
SCHEMBL34956 0.86 TUBB1 (0.37) NPC1POLBRAB9AALDH1A1MEN1
SCHEMBL7117533 0.82 TUBB1 (0.37) NPC1POLBRAB9AALDH1A1MEN1
SCHEMBL6015159 0.82 GABRA1 (0.31) —
SCHEMBL5231365 0.81 GPR183 (0.34) TSHRNPC1RAB9AKMT2ATRPA1
SCHEMBL6208316 0.81 — —
SCHEMBL6015157 0.81 CYP3A4 (0.36) RAB9AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425342-A4 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & CO (US) 2005-01-05 — — EP claimed
EP-1425342-A2 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME Milliken & Company (US) 2004-06-09 — — EP 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
WO-2002077086-A2 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-10-03 — — WO 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-1370213-A4 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & CO (US) 2005-01-26 — — EP 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
EP-1370213-A2 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME Milliken & Company (US) 2003-12-17 — — 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-6548581-B2 Radiation transparent polyolefin MILLIKEN & COMPANY 2003-04-15 — — 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-20030013786-A1 Novel asymmetric halogen-alkyl alditol derivatives as nucleators and clarifiers for polyolefins, and polyolefin plastic compositions containing same MILLIKEN & COMPANY 2003-01-16 — — 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
US-6500964-B2 BY REACTING SUBSTITUTED BENZALDEHYDE(S) WITH ALDITOL(S) SUCH AS SORBITOL MILLIKEN & COMPANY 2002-12-31 — — US disclosed
WO-2002079124-A2 METHOD OF PRODUCING HIGH YIELD ALDITOL ACETALS WITH MINERAL ACIDS AND SURFACTANTS MILLIKEN & COMPANY (US) 2002-10-10 — — WO disclosed
WO-2002077086-A2 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-10-03 — — WO disclosed
WO-2002076385-A2 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-10-03 — — WO disclosed
US-20020137953-A1 Method of producing high yield alditol acetals with mineral acids and surfactants MILLIKEN & COMPANY 2002-09-26 — — 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 (2 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 HPGD 823/4885TSHR 2045/4885NPC1 938/4885
US-20020137953-A1 Method of producing high yield alditol acetals with mineral acids and surfactants SORD, ALDOA, DERA HPGD 978/4885TSHR 4501/4885NPC1 2064/4885

“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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