SCHEMBL20004234

SCHEMBL20004234

CCCCOC(=O)CC(=O)C(C)(C)c1ccc(CC)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
ESR1 P03372 1/20 0.39
TDP1 Q9NUW8 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NOD2 Q9HC29 4/20 0.37
NOD1 Q9Y239 4/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL28351117 0.76 MGAM (0.37) SMN1; SMN2NPC1CYP2C9HPGDCYP2C19
SCHEMBL20004834 0.71 EPHX2 (0.43) CYP1A2ESR1
SCHEMBL28561490 0.70 FAAH (0.49) HPGDTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL28354748 0.70 SLC6A3 (0.35) SMN1; SMN2ESR1ALDH1A1MEN1KMT2A
SCHEMBL18067926 0.69 PDIA6 (0.49) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL29690545 0.68 ESR1 (0.50) ESR1
SCHEMBL11688861 0.68 ESR1 (0.50) ESR1
SCHEMBL3406703 0.68 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2HPGDTDP1ALDH1A1
SCHEMBL7101038 0.68 FAAH (0.46) HPGDALDH1A1TSHR
SCHEMBL18551961 0.68 ATM (0.46) SMN1; SMN2NPC1CYP1A2CYP2C9HPGD

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 3 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-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 SMN1; SMN2 1922/4885NPC1 1969/4885CYP1A2 2961/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 SMN1; SMN2 1922/4885NPC1 1969/4885CYP1A2 2961/4885

“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.