SCHEMBL12761404

SCHEMBL12761404

COc1ccc(C(C)(C)C)cc1-c1cc2c(cc1C(C)(C)C)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ CETP P11597 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34

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
SCHEMBL12761437 0.88 DHODH (0.39) DHODHALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL15314595 0.86 DHODH (0.42) DHODHALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL12761549 0.85 DHODH (0.42) DHODHALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL12761499 0.83 DHODH (0.44) DHODHALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL12833476 0.82 HSD17B1 (0.44) DHODHALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL12761525 0.79 NQO1 (0.43) ALDH1A1SMN1; SMN2HPGDMAPTCETP
SCHEMBL12761528 0.79 DHODH (0.33) DHODHALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL2051020 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDHTTCETP
SCHEMBL12761478 0.77 PDE4A (0.43) DHODHALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL12761435 0.77 LMNA (0.35) DHODHALDH1A1SMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 — — US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 — — 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 (1 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP DHODH 2078/4885ALDH1A1 3603/4885SMN1; SMN2 4767/4885

“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.

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