SCHEMBL27188166

SCHEMBL27188166

O=Cc1c(O)cccc1OCc1cccnc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C8 P10632 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ERN1 O75460 3/20 0.40
KDM4E B2RXH2 2/20 0.39
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
DCPS Q96C86 1/20 0.34
SGMS2 Q8NHU3 2/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33

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
SCHEMBL27188138 0.85 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22905459 0.84 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL27188260 0.82 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL27188169 0.80 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL21383166 0.79 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22905461 0.78 CYP2C19 (0.54) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL21905054 0.77 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL16078315 0.77 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL30602306 0.77 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL21905108 0.77 CYP1A2 (0.58) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615817-A1 BENZALDEHYDE COMPOUNDS WITH DIRECT POLYMER DESTABILIZING EFFECTS TO TREAT SICKLE CELL DISEASE Virginia Commonwealth University (US) 2025-09-17 EP disclosed
US-20250019349-A1 BENZALDEHYDE COMPOUNDS WITH DIRECT POLYMER DESTABILIZING EFFECTS TO TREAT SICKLE CELL DISEASE THE CHILDREN'S HOSPITAL OF PHILADELPHIA 2025-01-16 US disclosed
US-12065408-B2 Benzaldehyde compounds with direct polymer destabilizing effects to treat sickle cell disease VIRGINIA COMMONWEALTH UNIVERISTY (US) 2024-08-20 US disclosed
US-20240174612-A1 BENZALDEHYDE COMPOUNDS WITH DIRECT POLYMER DESTABILIZING EFFECTS TO TREAT SICKLE CELL DISEASE THE CHILDREN'S HOSPITAL OF PHILADELPHIA 2024-05-30 US disclosed
WO-2024102306-A1 HIGHLY WATER SOLUBLE SCHIFF BASE PRODRUGS OF BENZALDEHYDE ALLOSTERIC MODULATORS ILLEXCOR HOLDINGS, LLC (US) 2024-05-16 WO disclosed
WO-2024102304-A1 BENZALDEHYDE COMPOUNDS WITH DIRECT POLYMER DESTABILIZING EFFECTS TO TREAT SICKLE CELL DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2024-05-16 WO disclosed
US-20240109843-A1 BENZALDEHYDE COMPOUNDS WITH DIRECT POLYMER DESTABILIZING EFFECTS TO TREAT SICKLE CELL DISEASE KING ABDULAZIZ UNIVERSITY (SA) 2024-04-04 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-20240174612-A1 BENZALDEHYDE COMPOUNDS WITH DIRECT POLYMER DESTABILIZING EFFECTS TO TREAT SICKLE CELL DISEASE HBG1, HBB, HBG2 CYP1A2 4242/4885CYP3A4 3684/4885CYP2C8 3847/4885
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-12065408-B2 Benzaldehyde compounds with direct polymer destabilizing effects to treat sickle cell disease HBG1, HBB, HBG2 CYP1A2 4242/4885CYP3A4 3684/4885CYP2C8 3847/4885
US-20250019349-A1 BENZALDEHYDE COMPOUNDS WITH DIRECT POLYMER DESTABILIZING EFFECTS TO TREAT SICKLE CELL DISEASE HBG1, HBB, HBG2 CYP1A2 4242/4885CYP3A4 3684/4885CYP2C8 3847/4885

“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.