SCHEMBL21294073

SCHEMBL21294073

CCCCCCC(CCCCCC)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41
ADRB3 P13945 1/20 0.41
HTR2C P28335 1/20 0.41
HSPE1 P61604 1/20 0.41
HIF1A Q16665 1/20 0.41
TST Q16762 1/20 0.41

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
SCHEMBL21294074 1.00 TRPV1 (0.41) TRPV1ESR1ADRA2AADORA3TACR2
SCHEMBL5326614 0.84 ESR1 (0.50) TRPV1ESR1ADRA2AADORA3TACR2
SCHEMBL3701730 0.82 FOLH1 (0.51) TRPV1ESR1ADRA2AADORA3TACR2
SCHEMBL16213138 0.82 HSD17B3 (0.46) TRPV1ESR1ADRA2AADORA3TACR2
SCHEMBL14675140 0.81 HSD17B3 (0.44) TRPV1ESR1ADRA2AADORA3TACR2
SCHEMBL604071 0.78 FOLH1 (0.53) ESR1SLC7A5
SCHEMBL14906484 0.78 TRPV1 (0.50) TRPV1ESR1ADRA2AADORA3TACR2
SCHEMBL31660799 0.76 CNR1 (0.53) TRPV1KDM4EALDH1A1LMNATP53
SCHEMBL10709708 0.76 ITGB3 (0.48) ESR1ALDH1A1LMNACYP3A4SLC7A5
SCHEMBL10709699 0.76 ITGB3 (0.48) ESR1ALDH1A1LMNACYP3A4SLC7A5

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-11285119-B2 Anti-inflammatory composition NEOPHARM CO., LTD. (KR) 2022-03-29 US disclosed
US-20190262287-A1 ANTI-INFLAMMATORY COMPOSITION NEOPHARM CO., LTD. (KR) 2019-08-29 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-20190262287-A1 ANTI-INFLAMMATORY COMPOSITION TNF, CUTA, IL6 TRPV1 871/4885ESR1 3652/4885ADRA2A 3069/4885
US-11285119-B2 Anti-inflammatory composition TNF, CUTA, IL6 TRPV1 871/4885ESR1 3652/4885ADRA2A 3069/4885

“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.