SCHEMBL22967682

SCHEMBL22967682

CC(C)c1cc(O)cc2c(CC(C)(C)c3ccc4ccccc4c3)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ADRB2 P07550 4/20 0.34
▸ CASR P41180 2/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL20858119 0.69 TRPV1 (0.35) TRPV1NR3C1
SCHEMBL19067389 0.68 NQO2 (0.55) TRPV1CYP3A4SLC6A2MEN1HPGD
SCHEMBL2991261 0.65 CYP1A2 (0.47) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL23861369 0.64 MEN1 (0.46) AKR1B1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL20180475 0.63 CYP1A2 (0.34) AKR1B1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL9160258 0.63 NPC1 (0.53) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL24390516 0.63 CYP1A2 (0.37) CYP1A2
SCHEMBL22051112 0.63 CYP3A4 (0.44) AKR1B1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL27601682 0.63 HPRT1 (0.40) SLC6A2HPGDCYP1A2MAPTCYP2C19
SCHEMBL11414904 0.62 PTPN1 (0.47) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-02-11 — — 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-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC AKR1B1 3559/4885TRPV1 4815/4885CYP3A4 4268/4885

“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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