SCHEMBL7538876

SCHEMBL7538876

CC(C)Oc1cc(C=O)ccc1OC(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
ALDH1A3 P47895 1/20 0.49
TSHR P16473 1/20 0.49
DRD1 P21728 3/20 0.46
PDE4B Q07343 5/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
FDPS P14324 1/20 0.42
AOX1 Q06278 1/20 0.41
TRIM24 O15164 1/20 0.41
HPGD P15428 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
TTR P02766 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL140841 0.91 DRD1 (0.53) ALDH1A1TSHRDRD1PDE4BKDM4E
SCHEMBL29440132 0.91 DRD1 (0.53) ALDH1A1TSHRDRD1PDE4BKDM4E
SCHEMBL1713698 0.91 ALDH1A1 (0.57) ALDH1A1ALDH1A3TSHRPDE4BHTT
SCHEMBL1966450 0.85 ALDH1A1 (0.70) ALDH1A1ALDH1A3TSHRDRD1PDE4B
SCHEMBL140472 0.85 ALDH1A1 (0.70) ALDH1A1TSHRDRD1PDE4BKDM4E
SCHEMBL31619154 0.83 TRPA1 (0.41) ALDH1A1PDE4BKDM4EHTTMAPT
SCHEMBL660365 0.83 ALDH1A1 (0.72) ALDH1A1ALDH1A3TSHRPDE4BKDM4E
SCHEMBL31009671 0.83 ALDH1A1 (0.72) ALDH1A1ALDH1A3TSHRPDE4BKDM4E
SCHEMBL1159006 0.83 ALDH1A1 (0.72) ALDH1A1ALDH1A3TSHRPDE4BKDM4E
SCHEMBL7359638 0.82 FDPS (0.47) ALDH1A1TSHRDRD1PDE4BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136683-A Catechol ether compound, pharmaceutical composition and application thereof 中国药科大学 2025-06-13 CN disclosed
US-20220117944-A1 OINTMENT CONTAINING AN OXAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-04-21 US disclosed
EP-3397619-B1 OINTMENT OTSUKA PHARMA CO LTD (JP) 2020-07-29 EP disclosed
US-20200171006-A1 OINTMENT CONTAINING AN OXAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-06-04 US disclosed
US-10588893-B2 Ointment containing an oxazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-03-17 US disclosed
US-20190000810-A1 OINTMENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-01-03 US disclosed
WO-2017115780-A1 OINTMENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 WO disclosed
EP-0706513-B1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEM FAB (DE) 2002-05-15 EP disclosed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
US-5712298-A Fluoroalkoxy-substituted benzamides and their use as cyclic nucleotide phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-01-27 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-20200171006-A1 OINTMENT CONTAINING AN OXAZOLE COMPOUND PDE12, PDE4B, PDE4A ALDH1A1 100/4885ALDH1A3 188/4885TSHR 4579/4885
US-20220117944-A1 OINTMENT CONTAINING AN OXAZOLE COMPOUND PDE12, PDE4B, PDE4A ALDH1A1 100/4885ALDH1A3 188/4885TSHR 4579/4885
US-10588893-B2 Ointment containing an oxazole compound PDE12, PDE4B, PDE4A ALDH1A1 100/4885ALDH1A3 188/4885TSHR 4579/4885
US-20190000810-A1 OINTMENT PDE12, PDE4B, PDE4A ALDH1A1 67/4885ALDH1A3 123/4885TSHR 4648/4885

“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.