Sugi Predict

Sugi Predict / Compounds / SCHEMBL16147388

SCHEMBL16147388

SCHEMBL16147388

C=CCc1cccc(O)c1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.46
▸ GABRB2 P47870 2/20 0.46
▸ AKR1B1 P15121 2/20 0.40
▸ KMT2A Q03164 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSPA5 P11021 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ AURKA O14965 1/20 0.34

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
SCHEMBL4871845 0.78 GABRA1 (0.50) GABRA1GABRB2AKR1B1KMT2AALDH1A1
2-Allylphenol SCHEMBL28139109 0.77 GABRA1 (0.55) GABRA1GABRB2AKR1B1KMT2AMEN1
2-Allylphenol SCHEMBL5489147 0.74 GABRA1 (0.57) GABRA1GABRB2AKR1B1KMT2AMEN1
2-Allylphenol SCHEMBL160157 0.74 GABRA1 (0.57) GABRA1GABRB2AKR1B1KMT2AMEN1
2-Allylphenol SCHEMBL31591833 0.74 GABRA1 (0.57) GABRA1GABRB2AKR1B1KMT2AMEN1
2-Allylphenol SCHEMBL29381085 0.74 GABRA1 (0.57) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL15557081 0.74 ALDH1A1 (0.37) GABRA1GABRB2AKR1B1KMT2AALDH1A1
SCHEMBL22031070 0.74 GABRA1 (0.54) GABRA1GABRB2AKR1B1KMT2AALDH1A1
2-Allylphenol SCHEMBL1509626 0.73 GABRA1 (0.55) GABRA1GABRB2AKR1B1KMT2AMEN1
2-Allylphenol SCHEMBL10529950 0.73 GABRA1 (0.55) GABRA1GABRB2AKR1B1KMT2AMEN1

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
EP-2953918-B1 ALKYL TRITYL PHENYL ETHERS ROHM & HAAS (US) 2018-07-25 — — EP disclosed
CN-105579427-B Alkyl trityl phenyl ethers 罗门哈斯公司 2017-06-06 — — CN disclosed
US-9587187-B2 Alkyl trityl phenyl ethers DOW GLOBAL TECHNOLOGIES LLC (US) 2017-03-07 — — US disclosed
CN-105579427-A Alkyl trityl phenyl ethers ROHM & HAAS 2016-05-11 — — CN disclosed
US-20160040082-A1 ALKYL TRITYL PHENYL ETHERS ROHM AND HAAS COMPANY (US) 2016-02-11 — — US disclosed
EP-2953918-A1 ALKYL TRITYL PHENYL ETHERS Dow Global Technologies LLC (US) 2015-12-16 — — EP disclosed
WO-2014165776-A1 ALKYL TRITYL PHENYL ETHERS ANGUS CHEMICAL COMPANY (US) 2014-10-09 — — 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-20160040082-A1 ALKYL TRITYL PHENYL ETHERS ALK, KCNQ1, KCNH3 GABRA1 2102/4885GABRB2 2796/4885AKR1B1 277/4885

“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.