SCHEMBL5233147

SCHEMBL5233147

O=C1CC(c2ccc(F)cc2)CO1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 1/20 0.42
CYP19A1 P11511 1/20 0.41
TACR1 P25103 2/20 0.40
MAOB P27338 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALPL P05186 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TTR P02766 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL28507542 0.81 MAP1LC3B (0.41) MAP1LC3BCYP19A1MAOBTDP1ALPL
SCHEMBL28507545 0.81 MAP1LC3B (0.41) MAP1LC3BCYP19A1MAOBTDP1ALPL
SCHEMBL5239565 0.81 ALDH1A1 (0.46) MAP1LC3BESR1ESR2TTRALDH1A1
SCHEMBL28502382 0.80 SIRT2 (0.38) ESR1ESR2TTRALDH1A1
SCHEMBL28502379 0.80 SIRT2 (0.38) ESR1ESR2TTRALDH1A1
SCHEMBL3718533 0.80 GAA (0.50) MAP1LC3BCYP19A1
SCHEMBL29152238 0.80 GAA (0.50) MAP1LC3BCYP19A1
SCHEMBL13923613 0.80 GAA (0.50) MAP1LC3BCYP19A1
SCHEMBL658679 0.80 MAP1LC3B (0.49) MAP1LC3BMAOBTDP1ALPLL3MBTL1
SCHEMBL17073790 0.78 BRD4 (0.49) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187863-A The preparation method of penfluridol 湖南中南制药有限责任公司 2016-12-07 CN claimed
EP-0082658-A2 Processes and intermediates useful in the preparation of flutroline PFIZER INC. (US) 1983-06-29 EP claimed
CN-106187863-A The preparation method of penfluridol 湖南中南制药有限责任公司 2016-12-07 CN disclosed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
US-6833366-B1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2004-12-21 US disclosed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US disclosed
US-6720315-B2 FOR INHIBITING BONE RESORPTION, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR METASTASIS, SOLID TUMOR GROWTH, ANGIOGENESIS, MACULAR DEGENERATION AND DIABETIC RETINOPATHY RETINOPATHY PHARMACIA CORPORATION 2004-04-13 US disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
EP-1289959-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO disclosed
WO-2001096310-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 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 (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-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 MAP1LC3B 986/4885CYP19A1 4228/4885TACR1 308/4885

“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.