SCHEMBL21383166

SCHEMBL21383166

COC(=O)c1ncccc1COc1cccc(O)c1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C8 P10632 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
PARP1 P09874 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RORC P51449 1/20 0.41
KMT2A Q03164 2/20 0.40
EGLN2 Q96KS0 1/20 0.38
FTO Q9C0B1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MPO P05164 1/20 0.37
TLR7 Q9NYK1 2/20 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
SCHEMBL16075540 0.85 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL21393518 0.83 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL21383167 0.81 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL23279451 0.81 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL27188138 0.80 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL16075537 0.80 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL16710476 0.80 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL16075536 0.80 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL23279413 0.79 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22905459 0.79 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109843-A1 BENZALDEHYDE COMPOUNDS WITH DIRECT POLYMER DESTABILIZING EFFECTS TO TREAT SICKLE CELL DISEASE KING ABDULAZIZ UNIVERSITY (SA) 2024-04-04 US disclosed
US-20220340531-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE VIRGINIA COMMONWEALTH UNIVERSITY 2022-10-27 US disclosed
US-11401241-B2 Aromatic aldehydes with sustained and enhanced in vitro and in vivo pharmacologic activity to treat sickle cell disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2022-08-02 US disclosed
US-11401241-B2 Aromatic aldehydes with sustained and enhanced in vitro and in vivo pharmacologic activity to treat sickle cell disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2022-08-02 US disclosed
EP-3768264-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE Virginia Commonwealth University (US) 2021-01-27 EP disclosed
US-20210002225-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-01-07 US disclosed
US-20210002225-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-01-07 US disclosed
WO-2019182938-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2019-09-26 WO disclosed
WO-2019182938-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2019-09-26 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 (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-20220340531-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE HBG1, HBG2, HBB CYP1A2 1548/4885CYP3A4 750/4885CYP2C8 674/4885
US-20240109843-A1 BENZALDEHYDE COMPOUNDS WITH DIRECT POLYMER DESTABILIZING EFFECTS TO TREAT SICKLE CELL DISEASE HBG1, HBB, HBG2 CYP1A2 4242/4885CYP3A4 3684/4885CYP2C8 3847/4885
US-20210002225-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE HBG1, HBG2, HBB CYP1A2 1548/4885CYP3A4 750/4885CYP2C8 674/4885
US-11401241-B2 Aromatic aldehydes with sustained and enhanced in vitro and in vivo pharmacologic activity to treat sickle cell disease HBG1, HBG2, HBB CYP1A2 1548/4885CYP3A4 750/4885CYP2C8 674/4885

“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.