SCHEMBL2392216

SCHEMBL2392216

CC=C(CC)[PH](=O)OCCCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
HCAR2 Q8TDS4 1/20 0.32
NAAA Q02083 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL2379692 0.73 ALDH1A1 (0.35) ATMALDH1A1TSHRHPGDNAAA
SCHEMBL19395340 0.72 ALDH1A1 (0.43) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL19395331 0.71 ALDH1A1 (0.41) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL19395351 0.69 ALDH1A1 (0.45) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL829195 0.69
Propene SCHEMBL11489185 0.68 TSHR (0.42) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL19395363 0.68 EPHX1 (0.41) ATMALDH1A1TSHRNAAA
SCHEMBL20236 0.68 CYP3A4 (0.42) ATMALDH1A1TSHRHPGDHCAR2
Butane SCHEMBL1296581 0.67 ALDH1A1 (0.41) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL7126709 0.67 ALDH1A1 (0.41) ATMALDH1A1TSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772519-B2 Process for preparing mono-allyl-functionalized dialkylphosphinic acids, salts and esters thereof with allylic compounds, and the use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-07-08 US disclosed
US-20110224340-A1 Method for Producing Mono-Vinylfunctionalized Dialkylphosphinic Acids, Salts and Esters Thereof, and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-15 US disclosed
US-20110213080-A1 Process for Preparing Mono-Allyl-Functionalized Dialkylphosphinic Acids, Salts and Esters Thereof With Allylic Compounds, and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 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-20110224340-A1 Method for Producing Mono-Vinylfunctionalized Dialkylphosphinic Acids, Salts and Esters Thereof, and the Use Thereof ACSL1, ACSL3, HACL2 ATM 3143/4885ALDH1A1 2204/4885TSHR 1259/4885
US-20110213080-A1 Process for Preparing Mono-Allyl-Functionalized Dialkylphosphinic Acids, Salts and Esters Thereof With Allylic Compounds, and the Use Thereof AGL, ACSL3, ACSL6 ATM 3033/4885ALDH1A1 3349/4885TSHR 628/4885

“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.