SCHEMBL10037291

SCHEMBL10037291

CC(C)(C)N1CCCC[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
ACE P12821 6/20 0.37
REN P00797 3/20 0.37
KDM4E B2RXH2 1/20 0.37
F2 P00734 1/20 0.37
LTA4H P09960 1/20 0.37
MAPT P10636 1/20 0.37
PEPD P12955 1/20 0.37
ALOX15 P16050 1/20 0.37
PTGS1 P23219 1/20 0.37
HTR2A P28223 1/20 0.37
PTGS2 P35354 1/20 0.37
HRH1 P35367 1/20 0.37
THPO P40225 1/20 0.37
PMP22 Q01453 1/20 0.37
ACE2 Q9BYF1 1/20 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
SCHEMBL5429806 1.00 LMNA (0.44) LMNAHSD17B10CYP2C19ALDH1A1HTT
SCHEMBL1592788 1.00 LMNA (0.44) LMNAHSD17B10CYP2C19ALDH1A1HTT
SCHEMBL3462968 0.94 HSD17B10 (0.49) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL1905956 0.94 HSD17B10 (0.49) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL10037292 0.94 HSD17B10 (0.49) LMNAHSD17B10CYP2C19ACEREN
Hydrochloric Acid SCHEMBL11222735 0.92 HSD17B10 (0.47) LMNAHSD17B10CYP2C19ACEREN
Hydrochloric Acid SCHEMBL17459605 0.92 HSD17B10 (0.47) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL5702246 0.85 LMNA (0.40) LMNAHSD17B10CYP2C19HTTACE
SCHEMBL5702250 0.85 LMNA (0.40) LMNAHSD17B10CYP2C19HTTACE
SCHEMBL12312731 0.85 LMNA (0.40) LMNAHSD17B10CYP2C19HTTACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331675-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2023-10-19 US disclosed
US-20230331675-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2023-10-19 US disclosed
US-20210147356-A1 IMMUNOMODULATOR COMPOUNDS CHEMOCENTRYX, INC. 2021-05-20 US disclosed
US-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-12 US disclosed
US-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-12 US disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 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 (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-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE MSR1, TPMT, M6PR LMNA 2103/4885HSD17B10 2271/4885CYP2C19 467/4885
US-20210147356-A1 IMMUNOMODULATOR COMPOUNDS IL2, FCGRT, IFNG LMNA 3957/4885HSD17B10 3683/4885CYP2C19 1391/4885
US-20230331675-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF PDCD1, CD274, PDCD1LG2 LMNA 1636/4885HSD17B10 1722/4885CYP2C19 189/4885
US-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL LMNA 317/4885HSD17B10 2891/4885CYP2C19 1793/4885

“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.