SCHEMBL3000000

SCHEMBL3000000

COC(=O)c1cc(C=O)cc(C(=O)OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
KDM4E B2RXH2 5/20 0.52
XDH P47989 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
GAA P10253 1/20 0.52
NFKB1 P19838 1/20 0.52
GFER P55789 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
FUT7 Q11130 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ATM Q13315 1/20 0.46

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
SCHEMBL24609716 0.96 ALDH1A1 (0.64) ALDH1A1CA12CA1CA2CA7
SCHEMBL13898758 0.92 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL14577650 0.92 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL7010309 0.90 CA12 (0.70) ALDH1A1CA12CA1CA2CA7
SCHEMBL2160967 0.88 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL14577675 0.88 ALDH1A1 (0.51) ALDH1A1CA12CA1CA2CA7
SCHEMBL3365862 0.87 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL2559565 0.87 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL23803847 0.87 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL8006017 0.87 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250195462-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2025-06-19 US disclosed
WO-2025045826-A1 COMPOUNDS FOR ACTIVATION OF FGFR1 SIGNALING THE CULTIVATED B. GMBH (DE) 2025-03-06 WO disclosed
US-20240366552-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2024-11-07 US disclosed
EP-4424718-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, MODIFIED CONJUGATED DIENE-BASED POLYMER, POLYMER COMPOSITION, CROSSLINKED PRODUCT, TIRE, AND COMPOUND ENEOS Materials Corporation (JP) 2024-09-04 EP disclosed
CN-118103409-A Process for producing modified conjugated diene polymer, polymer composition, crosslinked product, tire, and compound 株式会社引能仕材料 2024-05-28 CN disclosed
US-20240115543-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2024-04-11 US disclosed
WO-2023210342-A1 COMPOSITION 東レ株式会社 2023-11-02 WO disclosed
US-20230255923-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2023-08-17 US disclosed
WO-2023074773-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, MODIFIED CONJUGATED DIENE-BASED POLYMER, POLYMER COMPOSITION, CROSSLINKED PRODUCT, TIRE, AND COMPOUND 株式会社ENEOSマテリアル 2023-05-04 WO disclosed
US-20230039858-A1 COMPOSITIONS AND METHODS RELATED TO MOLECULAR CONJUGATION INTOCELL, INC. (KR) 2023-02-09 US disclosed
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP 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 (5 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-20240115543-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 ALDH1A1 3189/4885CA12 4253/4885CA1 2923/4885
US-20230255923-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 ALDH1A1 3189/4885CA12 4253/4885CA1 2923/4885
US-20230039858-A1 COMPOSITIONS AND METHODS RELATED TO MOLECULAR CONJUGATION FCGR2A, FCGRT, FCGR3B ALDH1A1 200/4885CA12 1261/4885CA1 2558/4885
US-20240366552-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 ALDH1A1 3189/4885CA12 4253/4885CA1 2923/4885
US-20250195462-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 ALDH1A1 3189/4885CA12 4253/4885CA1 2923/4885

“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.