SCHEMBL30612486

SCHEMBL30612486

F[B-](F)(F)F.F[B-](F)(F)F.c1ccc(-c2cc(-c3cc(-c4ccccc4)[o+]c(-c4ccccc4)c3)cc(-c3ccccc3)[o+]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
AKR1C2 P52895 3/20 0.34
AKR1C1 Q04828 3/20 0.34
BACE1 P56817 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ACHE P22303 1/20 0.32
PTPN1 P18031 2/20 0.31
MAOA P21397 1/20 0.31
KIF11 P52732 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
AKR1C4 P17516 1/20 0.31
AKR1C3 P42330 1/20 0.31
PTPN5 P54829 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL11528963 0.98 ALDH1A1 (0.43) ALDH1A1AKR1C2AKR1C1CRHBPCRHR2
SCHEMBL345864 0.98 ALDH1A1 (0.43) ALDH1A1AKR1C2AKR1C1CRHBPCRHR2
SCHEMBL7933978 0.98 ALDH1A1 (0.43) ALDH1A1AKR1C2AKR1C1CRHBPCRHR2
SCHEMBL10411118 0.95 ALDH1A1 (0.41) ALDH1A1AKR1C2AKR1C1CRHBPCRHR2
SCHEMBL596786 0.90 ALDH1A1 (0.50) ALDH1A1BACE1CRHBPCRHR2MAOA
SCHEMBL10624682 0.88 ALDH1A1 (0.43) ALDH1A1AKR1C2AKR1C1BACE1CRHBP
Hydrochloric Acid SCHEMBL9574779 0.87 ALDH1A1 (0.47) ALDH1A1BACE1CRHBPCRHR2MAOA
Iodide SCHEMBL7170134 0.87 ALDH1A1 (0.47) ALDH1A1BACE1CRHBPCRHR2MAOA
SCHEMBL29968018 0.87 ALDH1A1 (0.47) ALDH1A1CRHBPCRHR2MAOAKIF11
SCHEMBL12266121 0.87 ALDH1A1 (0.47) ALDH1A1CRHBPCRHR2MAOAKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043636-B2 Method for producing triarylorganoborates COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2024-07-23 US disclosed
US-20240002409-A1 METHOD FOR PRODUCING TRIARYLORGANOBORATES COVESTRO DEUTSCHLAND AG (DE) 2024-01-04 US disclosed
US-11760765-B2 Method for producing triarylorganoborates COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2023-09-19 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 (3 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-20240002409-A1 METHOD FOR PRODUCING TRIARYLORGANOBORATES KMO, COASY, CYP3A4 ALDH1A1 2226/4885AKR1C2 275/4885AKR1C1 368/4885
US-12043636-B2 Method for producing triarylorganoborates KMO, COASY, CYP3A4 ALDH1A1 2226/4885AKR1C2 275/4885AKR1C1 368/4885
US-11760765-B2 Method for producing triarylorganoborates CYP3A4, CYP3A43, CYP4B1 ALDH1A1 1623/4885AKR1C2 271/4885AKR1C1 363/4885

“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.