SCHEMBL2085893

SCHEMBL2085893

O=[N+]([O-])[O-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.53
CPA1 P15085 7/20 0.49
HIF1A Q16665 1/20 0.44
CYP1A2 P05177 3/20 0.42
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
LAP3 P28838 2/20 0.37
ANPEP P15144 1/20 0.37
CPA3 P15088 1/20 0.37

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
SCHEMBL29918368 0.87 SNCA (0.65) SNCACPA1HIF1ACYP1A2ALDH1A1
SCHEMBL8374037 0.85 CYP1A2 (0.53) SNCACYP1A2ALDH1A1CYP2C19TSHR
SCHEMBL7874618 0.85 SNCA (0.59) SNCAHIF1ACYP1A2ALDH1A1CYP2C19
Bromide SCHEMBL163158 0.84 SNCA (0.67) SNCACPA1HIF1ACYP1A2ALDH1A1
Fluoride Ion SCHEMBL585089 0.84 SNCA (0.63) SNCACPA1HIF1ACYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL494 0.84 SNCA (0.63) SNCACPA1HIF1ACYP1A2ALDH1A1
Water SCHEMBL3422802 0.84 SNCA (0.63) SNCACPA1HIF1ACYP1A2ALDH1A1
Iodide SCHEMBL159922 0.84 SNCA (0.63) SNCACPA1HIF1ACYP1A2ALDH1A1
SCHEMBL989761 0.84 SNCA (0.63) SNCACPA1HIF1ACYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL5427779 0.83 CYP1A2 (0.51) SNCACYP1A2ALDH1A1CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356150-A1 BIOBASED DIISOCYANATES, AND PROCESS FOR PREPARATION OF SAME Evoco Limited (CA) 2022-11-10 US disclosed
EP-4083018-A1 BIOBASED DIISOCYANATES, AND PROCESS FOR PREPARATION OF SAME Evoco Limited (CA) 2022-11-02 EP disclosed
CN-115260448-A Bio-based diisocyanate, preparation method thereof and polyurethane elastomer Evoco有限公司 2022-11-01 CN disclosed
US-11358929-B1 Biobased diisocyanates, and process for preparation of same EVOCO LTD (CA) 2022-06-14 US disclosed
US-11214539-B1 Biobased diisocyanates, and process for preparation of same Evoco Limited (CA) 2022-01-04 US disclosed
US-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
EP-1874736-A4 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-08-20 EP disclosed
EP-1874736-A2 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP disclosed
WO-2006116412-A2 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 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 (4 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-20220356150-A1 BIOBASED DIISOCYANATES, AND PROCESS FOR PREPARATION OF SAME CES2, CNPY3, NCEH1 SNCA 3450/4885CPA1 764/4885HIF1A 4546/4885
US-20090312383-A1 Fused Heterocyclic Compounds NPY4R, CRHR1, CNR1 SNCA 3385/4885CPA1 2578/4885HIF1A 570/4885
US-11214539-B1 Biobased diisocyanates, and process for preparation of same ROS1, CROCC, RCN1 SNCA 863/4885CPA1 2589/4885HIF1A 1639/4885
US-11358929-B1 Biobased diisocyanates, and process for preparation of same CES2, CNPY3, NCEH1 SNCA 3270/4885CPA1 726/4885HIF1A 4582/4885

“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.