SCHEMBL20004834

SCHEMBL20004834

CCc1ccc(C(C)(C)C(=O)O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
APP P05067 1/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
NR1H4 Q96RI1 1/20 0.41
RXRG P48443 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP26A1 O43174 2/20 0.38
CYP26B1 Q9NR63 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
LTB4R Q15722 3/20 0.38
LTB4R2 Q9NPC1 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TLR7 Q9NYK1 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
SCHEMBL8848023 0.87 APP (0.44) APPAKR1C3AKR1C2SLC22A12CYP1A2
SCHEMBL20004970 0.82 APP (0.44) APPAKR1C3AKR1C2SLC22A12CYP1A2
SCHEMBL29660078 0.82 APP (0.41) APPAKR1C3AKR1C2SLC22A12ESR1
SCHEMBL897783 0.82 APP (0.41) APPAKR1C3AKR1C2SLC22A12ESR1
SCHEMBL10228100 0.80 APP (0.47) APPAKR1C3AKR1C2SLC22A12CYP1A2
SCHEMBL28160438 0.80 AKR1C3 (0.46) APPAKR1C3AKR1C2NR1H4TLR7
SCHEMBL18322762 0.79 APP (0.44) EPHX2APPAKR1C3AKR1C2SLC22A12
SCHEMBL23639731 0.78 EPHX2 (0.36) EPHX2RXRARXRBNR1H4
SCHEMBL16189491 0.77 ESR1 (0.61) APPAKR1C3AKR1C2ESR1ESR2
SCHEMBL24021249 0.76 TLR7 (0.51) AKR1C3AKR1C2TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
WO-2019038779-A1 A NOVEL PROCESS FOR THE PREPARATION OF AN INTERMEDIATE OF ALECTINIB NATCO PHARMA LIMITED (IN) 2019-02-28 WO disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 EPHX2 1972/4885RXRA 2939/4885RXRB 3025/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 EPHX2 1972/4885RXRA 2939/4885RXRB 3025/4885

“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.