SCHEMBL100004

SCHEMBL100004

Cc1ccc(C#N)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CYP2A6 P11509 1/20 0.46
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
EGLN2 Q96KS0 3/20 0.41
KIF11 P52732 1/20 0.39
AR P10275 3/20 0.39
HDAC8 Q9BY41 1/20 0.38
CASP3 P42574 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ACHE P22303 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
Fumaric Acid SCHEMBL27590383 0.84 FFAR1 (0.48) FFAR1FFAR4HDAC1HDAC6PTGDR2
SCHEMBL532567 0.82 EGLN2 (0.48) ALDH1A1CYP2A6FFAR1FFAR4EGLN2
SCHEMBL31442843 0.81 GRM5 (0.44) FFAR1FFAR4HDAC1HDAC6ACHE
SCHEMBL7859984 0.79 GRM5 (0.43) FFAR1FFAR4HDAC1HDAC6ACHE
SCHEMBL29416796 0.78 EGLN2 (0.44) ALDH1A1CYP2A6EGLN2KIF11
SCHEMBL229147 0.78 EGLN2 (0.44) ALDH1A1CYP2A6EGLN2KIF11
SCHEMBL29814587 0.78 CYP2A6 (0.52) ALDH1A1CYP2A6FFAR1EGLN2AR
SCHEMBL1436903 0.78 CYP2A6 (0.52) ALDH1A1CYP2A6FFAR1EGLN2AR
SCHEMBL21020660 0.78 ALDH1A1 (0.44) ALDH1A1CYP2A6FFAR1FFAR4EGLN2
SCHEMBL7857630 0.77 HDAC8 (0.38) HDAC8HDAC1HDAC6ACHENISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113816874-B Process method for synthesizing 4-cyano-2-fluorobenzyl alcohol 大连双硼医药化工有限公司 2024-01-26 CN claimed
WO-2023099777-A1 METHOD OF UNDERWATER BONDING Henkel IP & Holding GmbH (DE) 2023-06-08 WO claimed
CN-109400500-B Preparation method of 3-fluoro-4-methylbenzonitrile 浙江天宇药业股份有限公司 2022-05-10 CN claimed
CN-113816874-A Process method for synthesizing 4-cyano-2-fluorobenzyl alcohol 大连双硼医药化工有限公司 2021-12-21 CN claimed
EP-2471769-A1 Process for preparing a benzonitrile derivative Bristol-Myers Squibb Company (US) 2012-07-04 EP claimed
US-20120088925-A1 Novel Alpha-(N-Sulfonamido)Acetamide Compound as an Inhibitor of Beta Amyloid Peptide Production BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US claimed
EP-2295417-A1 Novel intermediates useful for preparing alpha-(n-sulfonamido)acetamide compound Bristol-Myers Squibb Company (US) 2011-03-16 EP claimed
EP-3887359-B1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING UNIV COPENHAGEN (DK) 2026-05-06 EP disclosed
US-20240391908-A1 METABOLITES OF GLP1R AGONISTS PFIZER INC. (US) 2024-11-28 US disclosed
US-20240287104-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY RIGSHOSPITALET [DK]/[DK] (DK) 2024-08-29 US disclosed
US-12065434-B2 Metabolites of GLP1R agonists PFIZER INC. (US) 2024-08-20 US disclosed
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 WO disclosed
EP-0154840-B1 LIQUID CRYSTAL COMPOUNDS MERCK PATENT GmbH (DE) 1989-01-25 EP disclosed
US-4784471-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-11-15 US disclosed
US-4704227-A DERIVATIVES OF 1,3-DIOXANE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-11-03 US disclosed
EP-0211876-A1 FLUOROBENZENE DERIVATIVES MERCK PATENT GmbH (DE) 1987-03-04 EP disclosed
WO-1986004895-A1 FLUOROBENZENE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-08-28 WO disclosed
EP-0154840-A2 Liquid crystal compounds MERCK PATENT GmbH (DE) 1985-09-18 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-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 ALDH1A1 3639/4885CYP2A6 1848/4885FFAR1 1761/4885
US-20120088925-A1 Novel Alpha-(N-Sulfonamido)Acetamide Compound as an Inhibitor of Beta Amyloid Peptide Production APP, BACE1, IAPP ALDH1A1 2958/4885CYP2A6 4092/4885FFAR1 2641/4885
US-12065434-B2 Metabolites of GLP1R agonists GLP1R, GCGR, GIPR ALDH1A1 1781/4885CYP2A6 436/4885FFAR1 21/4885
US-20240391908-A1 METABOLITES OF GLP1R AGONISTS GLP1R, GCGR, GIPR ALDH1A1 1781/4885CYP2A6 436/4885FFAR1 21/4885
US-20240287104-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY HUNK, NUCB2, TK1 ALDH1A1 2499/4885CYP2A6 4728/4885FFAR1 2400/4885

“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.