SCHEMBL16053002

SCHEMBL16053002

C(=C1CCOCC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ CYP1A2 P05177 2/20 0.43
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HTT P42858 2/20 0.39
▸ CNR1 P21554 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HPGD P15428 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ STK17B O94768 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL28305373 0.87 ALDH1A1 (0.44) ALDH1A1CYP1A2MAPTPKMF3
SCHEMBL10632138 0.83 CYP1A2 (0.52) ALDH1A1CYP1A2MAPTF3HTT
SCHEMBL63597 0.83 CYP1A2 (0.52) ALDH1A1CYP1A2MAPTF3HTT
Water SCHEMBL1007359 0.80 CYP1A2 (0.50) ALDH1A1CYP1A2MAPTF3HTT
SCHEMBL16447506 0.78 MAOA (0.39) ALDH1A1MAPTHTTRAB9ALMNA
SCHEMBL33499 0.78 CYP1A2 (0.50) ALDH1A1CYP1A2MAPTF3HTT
SCHEMBL5925686 0.78 CYP1A2 (0.56) ALDH1A1CYP1A2MAPTF3HTT
SCHEMBL10547399 0.77 MAOB (0.52) ALDH1A1CYP1A2MAPTKDM4ERAB9A
SCHEMBL2277720 0.77 ALDH1A1 (0.41) ALDH1A1CYP1A2MAPTPKMRORC
SCHEMBL36532 0.76 CYP1A2 (0.48) ALDH1A1CYP1A2MAPTF3HTT

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 5 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
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 — — US disclosed
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 — — US disclosed
EP-2970347-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS Dublin City University (IE) 2016-01-20 — — EP 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 ALDH1A1 4341/4885CYP1A2 1920/4885MAPT 3274/4885

“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.

Send feedback