SCHEMBL1869794

SCHEMBL1869794

CC(O)(OCCO)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARA Q07869 3/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
PPARG P37231 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TET2 Q6N021 1/20 0.31
GGT1 P19440 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
Ammonia Solution, Strong SCHEMBL28885229 0.98 TSHR (0.38) TSHRALDH1A1PPARACYP4F2CYP4A11
SCHEMBL30227255 0.81 ALDH1A1 (0.39) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL7932802 0.80 PPARA (0.41) TSHRALDH1A1PPARACYP4F2CYP4A11
SCHEMBL30227097 0.77 ALDH1A1 (0.41) TSHRALDH1A1PPARAPPARG
SCHEMBL5843703 0.76 NAAA (0.41) TSHR
Acetic Acid SCHEMBL28275735 0.75 FFAR3 (0.37) TSHRALDH1A1PPARACYP4F2CYP4A11
SCHEMBL15645230 0.73 PPARA (0.33) TSHRALDH1A1PPARACYP4F2CYP4A11
SCHEMBL1487661 0.72 TSHR (0.33) TSHRPPARA
2-Methoxyethanol SCHEMBL6368510 0.71 ALDH1A1 (0.52) TSHRALDH1A1PPARAHMGCRCHRM1
SCHEMBL7207097 0.71

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-20190016856-A1 MULTI-ARMED POLYETHYLENE GLYCOL AND ACTIVE DERIVATIVE THEREOF JENKEM TECHNOLOGY CO., LTD. (BEIJING) (CN) 2019-01-17 US disclosed
US-7935776-B2 having a carboxy group in its main chain and a acryloyl group in its side chain; Color filters AGI CORPORATION (TW) 2011-05-03 US disclosed
US-20080234403-A1 Radiation curable and developable polyurethane and radiation curable and developable photo resist composition containing the same AGI CORPORATION (TW) 2008-09-25 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 (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-20190016856-A1 MULTI-ARMED POLYETHYLENE GLYCOL AND ACTIVE DERIVATIVE THEREOF COG2, PTGER2, MGLL TSHR 4417/4885ALDH1A1 1584/4885PPARA 2507/4885

“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.