SCHEMBL11684059

SCHEMBL11684059

CCOc1cc(O)c(C(=O)CCC(=O)O)cc1OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.51
▸ TSHR P16473 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.38

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
Trepibutone SCHEMBL25039 0.87 TSHR (0.61) TSHRHSD17B10CYP3A4ALDH1A1HPGD
Trepibutone SCHEMBL29441541 0.87 TSHR (0.61) TSHRHSD17B10CYP3A4ALDH1A1HPGD
SCHEMBL4264883 0.84 KMT2A (0.53) TSHRHSD17B10CYP3A4ALDH1A1CYP2C19
SCHEMBL5190414 0.83 HMGCR (0.67) HMGCRTSHRHSD17B10CYP3A4ALDH1A1
SCHEMBL5518333 0.80 HMGCR (0.53) HMGCRTSHRHSD17B10CYP3A4ALDH1A1
SCHEMBL11683269 0.79 TSHR (0.51) HMGCRTSHRHSD17B10CYP3A4ALDH1A1
SCHEMBL16488700 0.77 HMGCR (0.54) HMGCRTSHRHSD17B10CYP3A4ALDH1A1
SCHEMBL11833308 0.76 HMGCR (0.49) HMGCRTSHRHSD17B10CYP3A4ALDH1A1
SCHEMBL28167915 0.75 STING1 (0.54) HMGCRTSHRHSD17B10CYP3A4ALDH1A1
SCHEMBL4264820 0.74 TSHR (0.58) TSHRHSD17B10ALDH1A1HPGDALOX15

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3943169-A DIURETIC, SPASMOLYTIC TAKEDA CHEMICAL INDUSTRIES, LTD (JA) 1976-03-09 — — US claimed
US-20260144799-A1 COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER Revolution Medicines, Inc. (US) 2026-05-28 — — US disclosed
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-09 — — US disclosed
EP-4603105-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-08-20 — — EP disclosed
EP-4592308-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-30 — — EP disclosed
US-20250230193-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-07-17 — — US disclosed
CN-120202211-A Cyclic compounds having selective KRAS inhibition over HRAS and NRAS 中外制药株式会社 2025-06-24 — — CN disclosed
CN-119731195-A Cyclic compounds having selective inhibition of KRAS over HRAS and NRAS 中外制药株式会社 2025-03-28 — — CN disclosed
EP-4512818-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS Chugai Seiyaku Kabushiki Kaisha (JP) 2025-02-26 — — EP disclosed
US-20250051394-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-02-13 — — US disclosed
WO-2023214576-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS 中外製薬株式会社 2023-11-09 — — WO disclosed
US-20230312147-A1 APPARATUS, SYSTEM AND METHOD FOR FLUID DELIVERY DEKA PRODUCTS LIMITED PARTNERSHIP 2023-10-05 — — US disclosed
EP-4223755-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION INCLUDING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-08-09 — — EP disclosed
CN-116456817-A Heterocyclic compound and harmful arthropod control composition containing same 住友化学株式会社 2023-07-18 — — CN disclosed
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 — — WO disclosed
WO-2022071428-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION INCLUDING SAME 住友化学株式会社 2022-04-07 — — WO disclosed
US-20220063847-A1 APPARATUS, SYSTEM AND METHOD FOR FLUID DELIVERY DEKA PRODUCTS LIMITED PARTNERSHIP 2022-03-03 — — US disclosed
US-4029699-A CHOLERETIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-06-14 — — US disclosed
US-4017517-A SPASMOLYTIC, CHOLERETIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-04-12 — — US disclosed
US-3943169-A DIURETIC, SPASMOLYTIC TAKEDA CHEMICAL INDUSTRIES, LTD (JA) 1976-03-09 — — 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 (4 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-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS KRAS, HRAS, NRAS HMGCR 2391/4885TSHR 3567/4885HSD17B10 2989/4885
US-20250051394-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS KRAS, HRAS, NRAS HMGCR 2391/4885TSHR 3567/4885HSD17B10 2989/4885
US-20260144799-A1 COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER PDCD1, CD274, PTPN1 HMGCR 4032/4885TSHR 1675/4885HSD17B10 3715/4885
US-20250230193-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS KRAS, HRAS, NRAS HMGCR 2391/4885TSHR 3567/4885HSD17B10 2989/4885

“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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