Sugi Predict

Sugi Predict / Compounds / SCHEMBL258731

SCHEMBL258731

SCHEMBL258731

CP(c1ccccc1)c1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP2A6 P11509 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PTGS2 P35354 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 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
SCHEMBL3790921 0.98 ESR1 (0.42) ESR1ESR2ALDH1A1HSD17B10CYP2A6
SCHEMBL3632062 0.89 ESR1 (0.48) ESR1ESR2TDP1CYP3A4
SCHEMBL5810167 0.81 ESR1 (0.54) ESR1ESR2ALDH1A1TDP1CYP3A4
SCHEMBL3962146 0.81 ESR1 (0.54) ESR1ESR2ALDH1A1TDP1CYP3A4
SCHEMBL5081022 0.79 ALDH1A1 (0.42) ESR2ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL29635182 0.77 TDP1 (0.50) ESR1ESR2ALDH1A1HSD17B10CYP2A6
SCHEMBL4004840 0.77 TDP1 (0.50) ESR1ESR2ALDH1A1HSD17B10CYP2A6
SCHEMBL7799500 0.76 TDP1 (0.48) ESR1ESR2ALDH1A1HSD17B10CYP2A6
SCHEMBL32685426 0.76 TDP1 (0.48) ESR1ESR2ALDH1A1HSD17B10CYP2A6
Bromide SCHEMBL6675138 0.74 TDP1 (0.46) ESR1ESR2ALDH1A1HSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067642-B2 Chiral phosphorous compounds Celtice Catalysts Limited, Nova UCD (IE) 2011-11-29 — — US disclosed
US-20100168456-A1 CHIRAL PHOSPHOROUS COMPOUNDS CELTIC CATALYSTS LIMITED (IE) 2010-07-01 — — US disclosed
EP-2139905-A2 CHIRAL DIPHOSPINES, METHODS FOR THEIR PREPARATION, TRANSITION METAL COMPLEXES COMPRISING THEM AND USE IN CHIRAL SYNTHESIS Celtic Catalysts Limited (IE) 2010-01-06 — — EP disclosed
WO-2008117054-A2 CHIRAL DIPHOSPHINES, METHODS FOR THEIR PREPARATION, TRANSITION METAL COMPLEXES COMPRISING THEM AND USE IN CHIRAL SYNTHESIS CELTIC CATALYSTS LIMITED (IE) 2008-10-02 — — WO disclosed
EP-1926740-A2 PROCESS FOR THE MONOSULFONATION OF AROMATIC PHOSPHINES, AND ZWITTERIONIC PRODUCT DERIVED THEREFROM The Dow Global Technologies Inc. (US) 2008-06-04 — — EP disclosed
WO-2007035540-A2 PROCESS FOR THE MONOSULFONATION OF AROMATIC PHOSPHINES, AND ZWITTERIONIC PRODUCT DERIVED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2007-03-29 — — 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-20100168456-A1 CHIRAL PHOSPHOROUS COMPOUNDS RPP30, PLCB3, INPP5D ESR1 1081/4885ESR2 859/4885ALDH1A1 4513/4885

“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.