SCHEMBL22440066

SCHEMBL22440066

CCC/C=C(\CC)C(=O)OCCCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
TSHR P16473 3/20 0.51
HCAR2 Q8TDS4 2/20 0.45
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EPHX1 P07099 1/20 0.44
HTR2C P28335 1/20 0.42
FAAH O00519 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
ACHE P22303 5/20 0.40

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
SCHEMBL4990203 1.00 NAAA (0.52) NAAATSHRHCAR2RAD52NPSR1
Ammonia Solution, Strong SCHEMBL27509345 0.92 TSHR (0.50) NAAATSHRHCAR2RAD52NPSR1
SCHEMBL8858229 0.88 TSHR (0.50) NAAATSHRHCAR2RAD52NPSR1
SCHEMBL8858232 0.88 TSHR (0.50) NAAATSHRHCAR2RAD52NPSR1
SCHEMBL5143635 0.88 NAAA (0.53) NAAATSHRHCAR2RAD52NPSR1
SCHEMBL28160102 0.85 TSHR (0.50) NAAATSHRHCAR2RAD52NPSR1
SCHEMBL2228694 0.84 NAAA (0.57) NAAATSHRHCAR2RAD52NPSR1
SCHEMBL2228697 0.84 NAAA (0.57) NAAATSHRHCAR2RAD52NPSR1
Ammonia Solution, Strong SCHEMBL27608605 0.84 HCAR2 (0.37) NAAATSHRHCAR2ALDH1A1LMNA
SCHEMBL27672923 0.83 TSHR (0.49) NAAATSHRHCAR2RAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200368131-A1 OIL-BASED COMPOSITION POLA CHEM IND INC (JP) 2020-11-26 US disclosed
EP-3711746-A1 OIL-BASED COMPOSITION Pola Chemical Industries Inc. (JP) 2020-09-23 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 (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-20200368131-A1 OIL-BASED COMPOSITION CUTA, EBP, LIPA NAAA 2350/4885TSHR 4625/4885HCAR2 2169/4885

“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.