SCHEMBL25530596

SCHEMBL25530596

COc1nc(C(C)(C)C)ccc1CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.38
▸ MBOAT4 Q96T53 1/20 0.36
▸ SQOR Q9Y6N5 1/20 0.35
▸ PDCD1LG2 Q9BQ51 5/20 0.34
▸ CD274 Q9NZQ7 5/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ RIPK1 Q13546 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10233300 0.82 CD274 (0.48) TRPV1MBOAT4SQORPDCD1LG2CD274
Hydrochloric Acid SCHEMBL620018 0.81 CD274 (0.47) TRPV1MBOAT4SQORPDCD1LG2CD274
SCHEMBL23398050 0.80 APOBEC3A (0.42) PDCD1LG2CD274SMN1; SMN2RIPK1ALDH1A1
SCHEMBL5049915 0.79 HTR2A (0.41) TRPV1MBOAT4PDCD1LG2CD274
SCHEMBL14845777 0.79 TRPV1 (0.43) TRPV1MBOAT4SQORPDCD1LG2CD274
SCHEMBL15128430 0.78 PDCD1LG2 (0.43) TRPV1MBOAT4PDCD1LG2CD274SMN1; SMN2
Anisole SCHEMBL28313547 0.73 CA4 (0.40) TRPV1PDCD1LG2CD274SMN1; SMN2ALDH1A1
SCHEMBL18538044 0.73 SQOR (0.39) TRPV1SQORSMN1; SMN2HIF1AALDH1A1
SCHEMBL13624092 0.73 SQOR (0.39) SQORSMN1; SMN2HIF1AALDH1A1
SCHEMBL21451282 0.72 CD274 (0.47) TRPV1PDCD1LG2CD274

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — US disclosed
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 TRPV1 848/4885MBOAT4 1233/4885SQOR 268/4885

“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.

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