SCHEMBL23095174

SCHEMBL23095174

CCCC(C)C(C)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.45
▸ SLC6A2 P23975 5/20 0.41
▸ SLC6A3 Q01959 5/20 0.41
▸ SLC6A4 P31645 4/20 0.41
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ FFAR2 O15552 2/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ PPARG P37231 2/20 0.34
▸ PPARA Q07869 2/20 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
SCHEMBL19493902 0.83 ADRB2 (0.48) ADRB2SLC6A2SLC6A3SLC6A4TSHR
SCHEMBL25016648 0.83 ADRB2 (0.48) ADRB2SLC6A2SLC6A3SLC6A4TSHR
SCHEMBL9283159 0.79 ALDH1A1 (0.42) SLC6A2SLC6A3LMNAHPGDAOC3
SCHEMBL9229402 0.79 ALDH1A1 (0.42) SLC6A2SLC6A3LMNAHPGDAOC3
SCHEMBL10274563 0.78 ADRB2 (0.48) ADRB2SLC6A2SLC6A3SLC6A4TSHR
SCHEMBL11949354 0.77 ADRB2 (0.62) ADRB2SLC6A2SLC6A3SLC6A4TSHR
SCHEMBL10291752 0.76 ESR1 (0.47) ADRB2SLC6A2SLC6A3SLC6A4TSHR
SCHEMBL3715871 0.76 SLC6A3 (0.47) ADRB2SLC6A2SLC6A3SLC6A4TSHR
SCHEMBL18435278 0.75 MEN1 (0.48) ADRB2SLC6A2SLC6A3SLC6A4TSHR
SCHEMBL27583456 0.75 MEN1 (0.48) ADRB2SLC6A2SLC6A3SLC6A4TSHR

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-10946000-B2 Method for treating cancer with combination therapy REDHILL BIOPHARMA LTD. (IL) 2021-03-16 — — 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-10946000-B2 Method for treating cancer with combination therapy TPMT, KRAS, SDHA ADRB2 901/4885SLC6A2 201/4885SLC6A3 161/4885

“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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