SCHEMBL22090138

SCHEMBL22090138

Nc1ccc(C2(C(=O)O)CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.53
▸ MAP4K4 O95819 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ AKR1C1 Q04828 1/20 0.47
▸ LMNA P02545 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP2C19 P33261 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ APP P05067 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39

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
SCHEMBL350673 0.87 AKR1C1 (0.55) MAP4K4ALDH1A1AKR1C1TSHRCYP2C19
SCHEMBL16424490 0.86 HDAC1 (0.53) HDAC1MAP4K4ALDH1A1LMNATSHR
SCHEMBL1627580 0.83 AKR1C1 (0.68) HDAC1ALDH1A1AKR1C1LMNATSHR
SCHEMBL2817038 0.83 AKR1C1 (0.68) MAP4K4ALDH1A1AKR1C1LMNATSHR
SCHEMBL13456896 0.83 AKR1C1 (0.62) MAP4K4ALDH1A1AKR1C1TSHRL3MBTL1
SCHEMBL15897259 0.82 ALDH1A1 (0.49) HDAC1MAP4K4ALDH1A1AKR1C1LMNA
SCHEMBL196949 0.82 POLB (0.56) HDAC1MAP4K4ALDH1A1AKR1C1LMNA
SCHEMBL16897539 0.82 LMNA (0.60) MAP4K4ALDH1A1AKR1C1LMNATSHR
SCHEMBL166581 0.82 APP (0.50) HDAC1MAP4K4ALDH1A1AKR1C1LMNA
SCHEMBL2325209 0.82 HDAC1 (0.55) HDAC1MAP4K4ALDH1A1AKR1C1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220073485-A1 Functionalised Amine Derivatives as IL-17 Modulators UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2022-03-10 — — US disclosed
EP-3894003-A1 FUNCTIONALISED AMINE DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2021-10-20 — — EP disclosed
CN-113260418-A Functionalized amine derivatives as IL-17 modulators UCB生物制药有限责任公司 2021-08-13 — — CN disclosed
WO-2020120141-A1 FUNCTIONALISED AMINE DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2020-06-18 — — WO 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-20220073485-A1 Functionalised Amine Derivatives as IL-17 Modulators IL17A, IL15, IL2 HDAC1 286/4885MAP4K4 1563/4885ALDH1A1 437/4885

“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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