SCHEMBL4414901

SCHEMBL4414901

Cc1c(Cl)ccc(O)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 1/20 0.39
TYR P14679 1/20 0.38
ALDH1A1 P00352 5/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TRPA1 O75762 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PTGS1 P23219 1/20 0.33
CACNA1C Q13936 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
ALOX12 P18054 2/20 0.32
AHR P35869 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL23841476 0.83 LMNA (0.39) LMNACYP3A4MAPK1TYRALDH1A1
SCHEMBL4760454 0.82 CYP3A4 (0.42) LMNACYP3A4MAPK1TYRALDH1A1
SCHEMBL21195120 0.81 TRPA1 (0.39) LMNACYP3A4MAPK1TYRALDH1A1
SCHEMBL23226978 0.80 CYP3A4 (0.52) LMNACYP3A4MAPK1TYRALDH1A1
SCHEMBL573757 0.77 TYR (0.41) LMNACYP3A4MAPK1TYRALDH1A1
SCHEMBL20285910 0.77 LMNA (0.33) LMNACYP3A4ALDH1A1TRPA1PTGS1
SCHEMBL1970931 0.77 TRPA1 (0.45) LMNATYRALDH1A1TSHRTRPA1
SCHEMBL16132833 0.77 CYP3A4 (0.38) LMNACYP3A4MAPK1TYRALDH1A1
SCHEMBL24451054 0.76 CYP3A4 (0.41) LMNACYP3A4MAPK1TYRALDH1A1
SCHEMBL20884656 0.76 CYP3A4 (0.52) LMNACYP3A4MAPK1TYRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4683345-A CONDENSATION, SULFURIC ACID CATALYST Nouvel, Colette (FR) 1987-07-28 US claimed
US-4154968-A Bactericidic and fungicidic chloromethylisopropyphenols CHRYSA (FR) 1979-05-15 US claimed
US-20230373952-A1 LACTAM COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-11-23 US disclosed
US-20230373952-A1 LACTAM COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-11-23 US disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2022-04-21 US disclosed
WO-2021127404-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2021-06-24 WO disclosed
CN-109942427-A A kind of monoterpene phenol derivatives and its synthetic method and the application in pesticide 云南农业大学 2019-06-28 CN disclosed
WO-2014001057-A1 ANTIMICROBIAL COMPOSITION UNILEVER N.V. (NL) 2014-01-03 WO disclosed
EP-2136648-A1 CENTER-FILLED CHEWING GUM PRODUCT FOR DENTAL CARE Gumlink A/S (DK) 2009-12-30 EP disclosed
WO-2008122286-A1 CENTER-FILLED CHEWING GUM PRODUCT FOR DENTAL CARE GUMLINK A/S (DK) 2008-10-16 WO disclosed
US-4683345-A CONDENSATION, SULFURIC ACID CATALYST Nouvel, Colette (FR) 1987-07-28 US disclosed
US-4154968-A Bactericidic and fungicidic chloromethylisopropyphenols CHRYSA (FR) 1979-05-15 US disclosed
US-4154968-A Bactericidic and fungicidic chloromethylisopropyphenols CHRYSA (FR) 1979-05-15 US disclosed
US-4098828-A BACTERICIDIC AND FUNGICIDIC CHLOROMETHYLISOPROPYLPHENOLS CHRYSA (FR) 1978-07-04 US disclosed
US-4098828-A BACTERICIDIC AND FUNGICIDIC CHLOROMETHYLISOPROPYLPHENOLS CHRYSA (FR) 1978-07-04 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 (3 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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR LMNA 3865/4885CYP3A4 45/4885MAPK1 2326/4885
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES DHFR, TYMS, TYMP LMNA 3922/4885CYP3A4 39/4885MAPK1 2279/4885
US-20230373952-A1 LACTAM COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNK3, KCNA3, KCNJ2 LMNA 2352/4885CYP3A4 927/4885MAPK1 1527/4885

“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.