SCHEMBL21654091

SCHEMBL21654091

CC(C)(C)CCc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 13/20 0.68
LTB4R2 Q9NPC1 6/20 0.55
LPAR1 Q92633 1/20 0.52

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
SCHEMBL21653955 0.87 BRS3 (0.61) BRS3LTB4R2LPAR1
SCHEMBL3230323 0.83 LTB4R2 (0.63) BRS3LTB4R2
SCHEMBL5937181 0.82 BRS3 (0.58) BRS3LTB4R2LPAR1
SCHEMBL10902221 0.80 LTB4R2 (0.60) BRS3LTB4R2
SCHEMBL3906504 0.80 BRS3 (0.70) BRS3LTB4R2LPAR1
SCHEMBL202160 0.79 LTB4R2 (0.61) LTB4R2
SCHEMBL21653954 0.79 BRS3 (0.70) BRS3LTB4R2LPAR1
SCHEMBL5151244 0.79 LTB4R2 (0.60) BRS3LTB4R2LPAR1
SCHEMBL18759613 0.78 HNF4A (0.63) LTB4R2
SCHEMBL30292805 0.78 HNF4A (0.63) LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US disclosed
US-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 US disclosed
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF OCEAN UNIVERSITY OF CHINA (CN) 2021-01-14 US disclosed
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof OCEAN UNIVERSITY OF CHINA (CN) 2020-01-30 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 (4 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-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 BRS3 4429/4885LTB4R2 2966/4885LPAR1 3974/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 BRS3 4429/4885LTB4R2 2966/4885LPAR1 3974/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 BRS3 2130/4885LTB4R2 1534/4885LPAR1 2922/4885
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF TPMT, PBRM1, PGM2 BRS3 1496/4885LTB4R2 2646/4885LPAR1 3269/4885

“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.