Sugi Predict

Sugi Predict / Compounds / SCHEMBL21056211

SCHEMBL21056211

SCHEMBL21056211

CC(O)CCCCCCCCC(O)C(O)CCCCCCCCC(C)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.57
▸ TRPA1 O75762 1/20 0.57
▸ SPHK1 Q9NYA1 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ GMNN O75496 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CETP P11597 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ UBE2N P61088 1/20 0.39
▸ TSHR P16473 2/20 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
SCHEMBL5136481 0.90 TRPV1 (0.50) TRPV1TRPA1SPHK1ALDH1A1MAPT
SCHEMBL11384575 0.90 TRPV1 (0.50) TRPV1TRPA1SPHK1ALDH1A1MAPT
SCHEMBL5136479 0.90 TRPV1 (0.50) TRPV1TRPA1SPHK1ALDH1A1MAPT
SCHEMBL7757768 0.90 TRPV1 (0.50) TRPV1TRPA1SPHK1ALDH1A1MAPT
SCHEMBL5014042 0.90 TRPV1 (0.50) TRPV1TRPA1SPHK1ALDH1A1MAPT
SCHEMBL17002461 0.90 TRPV1 (0.50) TRPV1TRPA1SPHK1ALDH1A1MAPT
SCHEMBL4443550 0.90 TRPV1 (0.50) TRPV1TRPA1SPHK1ALDH1A1MAPT
SCHEMBL6285447 0.90 TRPV1 (0.50) TRPV1TRPA1SPHK1ALDH1A1MAPT
SCHEMBL8582465 0.90 TRPV1 (0.50) TRPV1TRPA1SPHK1ALDH1A1MAPT
SCHEMBL30575805 0.90 TRPV1 (0.50) TRPV1TRPA1SPHK1ALDH1A1MAPT

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-11198670-B2 Hydrocarbon-containing carboxylic acid, hydrocarbon-containing sulfonic acid, hydrocarbon-containing sulfuric acid ester or salt thereof, and surfactant DAIKIN INDUSTRIES, LTD. (JP) 2021-12-14 — — US disclosed
US-20200024222-A1 HYDROCARBON-CONTAINING CARBOXYLIC ACID, HYDROCARBON-CONTAINING SULFONIC ACID, HYDROCARBON-CONTAINING SULFURIC ACID ESTER OR SALT THEREOF, AND SURFACTANT DAIKIN INDUSTRIES, LTD. (JP) 2020-01-23 — — US disclosed
EP-3498686-A1 HYDROCARBON-CONTAINING CARBOXYLIC ACID, HYDROCARBON-CONTAINING SULFONIC ACID, HYDROCARBON-CONTAINING SULFURIC ACID ESTER OR SALT THEREOF, AND SURFACTANT Daikin Industries, Ltd. (JP) 2019-06-19 — — EP 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-20200024222-A1 HYDROCARBON-CONTAINING CARBOXYLIC ACID, HYDROCARBON-CONTAINING SULFONIC ACID, HYDROCARBON-CONTAINING SULFURIC ACID ESTER OR SALT THEREOF, AND SURFACTANT MSR1, HCAR3, C3AR1 TRPV1 2846/4885TRPA1 776/4885SPHK1 2414/4885
US-11198670-B2 Hydrocarbon-containing carboxylic acid, hydrocarbon-containing sulfonic acid, hydrocarbon-containing sulfuric acid ester or salt thereof, and surfactant MSR1, HCAR3, C3AR1 TRPV1 2846/4885TRPA1 776/4885SPHK1 2414/4885

“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.