SCHEMBL16065594

SCHEMBL16065594

Cc1cc(OC(C)C)c(OC(C)C)c(OC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CSNK2A1 P68400 2/20 0.37
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ RORC P51449 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32

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
SCHEMBL10980248 0.78 ALDH1A1 (0.43) ACHEALDH1A1HPGDCSNK2A1GAA
SCHEMBL17930311 0.78 ALDH1A1 (0.36) ACHEALDH1A1HPGDCSNK2A1GAA
SCHEMBL17447190 0.78 CSNK2A1 (0.32) ALDH1A1HPGDCSNK2A1GAAMAPT
SCHEMBL12517837 0.77 FFAR4 (0.41) ACHEALDH1A1GAAMAPTFFAR4
SCHEMBL10749852 0.76 ALDH1A1 (0.42) ACHEALDH1A1HPGDCSNK2A1KDM4E
SCHEMBL12313570 0.73 ACHE (0.50) ACHEALDH1A1HPGDCSNK2A1GAA
SCHEMBL16807338 0.73 ALDH1A1 (0.38) ACHEALDH1A1GAAKDM4EPOLB
SCHEMBL18583495 0.73 CSNK2A1 (0.36) ACHEALDH1A1HPGDCSNK2A1GAA
SCHEMBL11962257 0.73 ACHE (0.52) ACHEALDH1A1GAAKDM4EPOLB
SCHEMBL7842559 0.73 ALDH1A3 (0.48) ALDH1A1HPGDPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 — — US disclosed
WO-2014140353-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2014-09-18 — — 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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B ACHE 501/4885ALDH1A1 4341/4885HPGD 1231/4885

“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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