SCHEMBL4944987

SCHEMBL4944987

COc1cc(C=O)cc(OCc2ccccc2)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.64
CD274 Q9NZQ7 1/20 0.64
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TUBB1 Q9H4B7 2/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51

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
SCHEMBL30873516 1.00 PDCD1 (0.64) PDCD1CD274ALDH1A1SMN1; SMN2PDE4A
SCHEMBL11331941 0.97 PDCD1 (0.59) PDCD1CD274ALDH1A1SMN1; SMN2PDE4A
SCHEMBL6444060 0.94 PDCD1 (0.56) PDCD1CD274ALDH1A1SMN1; SMN2PDE4A
SCHEMBL30141008 0.94 PDCD1 (0.56) PDCD1CD274ALDH1A1SMN1; SMN2PDE4A
SCHEMBL8698472 0.92 ALDH1A1 (0.65) PDCD1CD274ALDH1A1SMN1; SMN2PDE4A
SCHEMBL2879297 0.91 ALDH1A1 (0.57) PDCD1CD274ALDH1A1SMN1; SMN2PDE4A
SCHEMBL13907558 0.87 PDCD1 (0.50) PDCD1CD274ALDH1A1SMN1; SMN2PDE4A
SCHEMBL4045055 0.86 MAOA (0.57) PDCD1CD274ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2087005 0.86 ALDH1A1 (0.53) PDCD1CD274ALDH1A1SMN1; SMN2PDE4A
SCHEMBL10913338 0.85 ALOX5 (0.49) PDCD1CD274ALDH1A1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117945865-A Bibenzyl compound and preparation method and application thereof 中南民族大学 2024-04-30 CN claimed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 US claimed
US-20240300962-A1 Isoquinoline Derivatives, Methods of Synthesis and Uses Thereof PROSETTA BIOSCIENCES INC (US) 2024-09-12 US disclosed
US-12024521-B2 Isoquinoline derivatives, methods of synthesis and uses thereof PROSETTA BIOSCIENCES, INC. (US) 2024-07-02 US disclosed
US-12024521-B2 Isoquinoline derivatives, methods of synthesis and uses thereof PROSETTA BIOSCIENCES, INC. (US) 2024-07-02 US disclosed
US-12024521-B2 Isoquinoline derivatives, methods of synthesis and uses thereof PROSETTA BIOSCIENCES, INC. (US) 2024-07-02 US disclosed
CN-117945865-A Bibenzyl compound and preparation method and application thereof 中南民族大学 2024-04-30 CN disclosed
EP-4149471-A1 ISOQUINOLINE DERIVATIVES, METHODS OF SYNTHESIS AND USES THEREOF Prosetta Biosciences, Inc. (US) 2023-03-22 EP disclosed
WO-2022006228-A1 ISOQUINOLINE DERIVATIVES, METHODS OF SYNTHESIS AND USES THEREOF PROSETTA BIOSCIENCES, INC. (US) 2022-01-06 WO disclosed
WO-2022006228-A1 ISOQUINOLINE DERIVATIVES, METHODS OF SYNTHESIS AND USES THEREOF PROSETTA BIOSCIENCES, INC. (US) 2022-01-06 WO disclosed
US-20210403477-A1 Isoquinoline Derivatives, Methods of Synthesis and Uses Thereof PROSETTA BIOSCIENCES, INC. 2021-12-30 US disclosed
US-20050222418-A1 Novel tyloindicines and related processes, pharmaceutical compositions and methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-10-06 US disclosed
EP-1482937-A2 NOVEL TYLOINDICINES AND RELATED PROCESSES, PHARMACEUTICAL COMPOSITIONS AND METHODS YALE UNIVERSITY (US) 2004-12-08 EP disclosed
WO-2003070166-A2 NOVEL TYLOINDICINES AND RELATED PROCESSES, PHARMACEUTICAL COMPOSITIONS AND METHODS YALE UNIVERSITY (US) 2003-08-28 WO disclosed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 US disclosed
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed
US-6017916-A Nonpeptide endothelin antagonists I WARNER-LAMBERT COMPANY (US) 2000-01-25 US disclosed
US-5691373-A TREATING SUBARACHNOID HEMORRHAGE WARNER-LAMBERT COMPANY (US) 1997-11-25 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 (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-12024521-B2 Isoquinoline derivatives, methods of synthesis and uses thereof POLRMT, MAVS, SYNCRIP PDCD1 2844/4885CD274 4325/4885ALDH1A1 3238/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 PDCD1 841/4885CD274 1029/4885ALDH1A1 4/4885
US-20210403477-A1 Isoquinoline Derivatives, Methods of Synthesis and Uses Thereof POLRMT, MAVS, SYNCRIP PDCD1 2844/4885CD274 4325/4885ALDH1A1 3238/4885
US-20240300962-A1 Isoquinoline Derivatives, Methods of Synthesis and Uses Thereof POLRMT, MAVS, SYNCRIP PDCD1 2844/4885CD274 4325/4885ALDH1A1 3238/4885
US-20050222418-A1 Novel tyloindicines and related processes, pharmaceutical compositions and methods IRF3, ILF3, ATL3 PDCD1 2285/4885CD274 2834/4885ALDH1A1 4029/4885

“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.