SCHEMBL21724299

SCHEMBL21724299

CCn1cc(C(=O)O)c(OC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 6/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL20524627 0.86 POLB (0.41) MAP3K5POLBTDP1L3MBTL1ALDH1A1
SCHEMBL22712271 0.85 POLB (0.40) MAP3K5POLBTDP1L3MBTL1ALDH1A1
SCHEMBL20524617 0.82 KMT2A (0.42) MAP3K5POLBTDP1L3MBTL1ALDH1A1
SCHEMBL24828263 0.82 TSHR (0.43) MAP3K5ALDH1A1KDM4EKMT2AHPGD
SCHEMBL21723855 0.82 MAP3K5 (0.45) MAP3K5POLBTDP1ALDH1A1KMT2A
SCHEMBL21724079 0.81 MAP3K5 (0.44) MAP3K5POLBTDP1L3MBTL1ALDH1A1
SCHEMBL21723853 0.81 MAP3K5 (0.45) MAP3K5POLBTDP1L3MBTL1KMT2A
SCHEMBL21723813 0.81 KMT2A (0.38) MAP3K5POLBTDP1L3MBTL1ALDH1A1
SCHEMBL2516540 0.80 POLB (0.44) MAP3K5POLBTDP1L3MBTL1KMT2A
SCHEMBL21723833 0.80 KMT2A (0.41) MAP3K5POLBTDP1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999715-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2024-06-04 — — US disclosed
EP-3837251-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2023-06-21 — — EP disclosed
EP-3837251-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2023-06-21 — — EP disclosed
EP-4117784-A1 GPR52 MODULATOR COMPOUNDS Heptares Therapeutics Limited (GB) 2023-01-18 — — EP disclosed
US-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 — — US disclosed
US-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 — — US disclosed
WO-2021181122-A1 GPR52 MODULATOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2021-09-16 — — WO disclosed
CN-113227070-A ASK1 inhibitors 比奥根MA公司 2021-08-06 — — CN disclosed
EP-3837251-A1 ASK1 INHIBITING AGENTS Biogen MA Inc. (US) 2021-06-23 — — EP disclosed
WO-2020036949-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2020-02-20 — — WO disclosed
WO-2020036949-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2020-02-20 — — 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 (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-20210317103-A1 ASK1 INHIBITING AGENTS MAP3K1, MAP3K6, MAP3K10 MAP3K5 10/4885POLB 3166/4885TDP1 148/4885
US-11999715-B2 ASK1 inhibiting agents MAP3K1, MAP3K6, MAP3K10 MAP3K5 10/4885POLB 3166/4885TDP1 148/4885

“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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