SCHEMBL24860577

SCHEMBL24860577

COc1ccc(-c2cc(C)c(C)cc2Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47
MAOB P27338 1/20 0.46
ALKBH3 Q96Q83 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
BACE1 P56817 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ACHE P22303 1/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41

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
SCHEMBL7777307 0.80 ABL1 (0.50) ABL1ABCB1BCRMAOBCA12
SCHEMBL28150016 0.78 ABL1 (0.48) ABL1ABCB1BCRMAOBALKBH3
SCHEMBL13614292 0.76 ABL1 (0.46) ABL1ABCB1BCRMAOBALKBH3
SCHEMBL28294385 0.75 ALDH1A1 (0.50) MAOBBACE1SMN1; SMN2NPC1MAPK1
SCHEMBL24184109 0.75 PTGS2 (0.42) NPC1RAB9AMAPTPTGS2
SCHEMBL13614304 0.74 MAPT (0.53) ABL1ABCB1BCRALKBH3CA12
SCHEMBL7777345 0.74 ESR2 (0.57) ABL1ABCB1BCRMAOBBACE1
SCHEMBL679848 0.74 SMN1; SMN2 (0.55) ABL1ABCB1BCRCA12CA1
SCHEMBL30610973 0.73 HDAC3 (0.51) ABL1ABCB1BCRMAOBSMN1; SMN2
SCHEMBL24553603 0.73 HTR7 (0.49) MAOBALKBH3SMN1; SMN2TP53NPC1

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-20230150919-A1 Method for Producing Mono-Cross-Coupled Aromatic Compound Having Leaving Group NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-05-18 US disclosed
US-20230150919-A1 Method for Producing Mono-Cross-Coupled Aromatic Compound Having Leaving Group NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-05-18 US disclosed
EP-4116282-A1 METHOD FOR PRODUCING MONO-CROSS-COUPLED AROMATIC COMPOUND HAVING LEAVING GROUP National University Corporation Hokkaido University (JP) 2023-01-11 EP 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 (1 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-20230150919-A1 Method for Producing Mono-Cross-Coupled Aromatic Compound Having Leaving Group DDC, PAH, ATIC ABL1 331/4885ABCB1 1329/4885BCR 187/4885

“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.