SCHEMBL14725631

SCHEMBL14725631

COc1c(Br)ccc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.40
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
TUBB1 Q9H4B7 6/20 0.36
ACHE P22303 1/20 0.36
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TUBB4A P04350 3/20 0.33
TUBB P07437 3/20 0.33
TUBA3C P0DPH7 3/20 0.33
TUBA1B P68363 3/20 0.33
TUBA4A P68366 3/20 0.33
TUBB4B P68371 3/20 0.33
TUBB3 Q13509 3/20 0.33
TUBB2A Q13885 3/20 0.33
TUBB8 Q3ZCM7 3/20 0.33
TUBA3E Q6PEY2 3/20 0.33
TUBA1A Q71U36 3/20 0.33
TUBA1C Q9BQE3 3/20 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
SCHEMBL9292546 0.85 NQO2 (0.42) NQO2CA2CA4TUBB1ACHE
SCHEMBL4922559 0.83 CA2 (0.44) NQO2CA2CA4TUBB1ACHE
SCHEMBL287639 0.81 CA2 (0.38) NQO2CA2CA4TUBB1ACHE
SCHEMBL9213947 0.81 CA2 (0.43) NQO2CA2CA4TUBB1ACHE
SCHEMBL30968870 0.79 ALDH1A1 (0.39) CA2TUBB1ACHEALDH1A1TUBB4A
SCHEMBL146614 0.79 ALDH1A1 (0.39) CA2TUBB1ACHEALDH1A1TUBB4A
SCHEMBL147312 0.79 TUBB1 (0.46) NQO2TUBB1ACHEALDH1A1TUBB4A
SCHEMBL127769 0.79 CA2 (0.55) NQO2CA2CA4TUBB1ACHE
SCHEMBL24344353 0.77 ALOX5AP (0.39) NQO2CA2CA4TUBB1ACHE
SCHEMBL15257910 0.77 ALOX5AP (0.46) NQO2CA2CA4TUBB1ACHE

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-20230192692-A1 MACROCYCLIC AND CAGE-LIKE MOLECULE BASED ON BIPHEN[n]ARENE AND DERIVATIVE, SYNTHESIS METHOD AND USE THEREOF TIANJIN NORMAL UNIVERSITY (CN) 2023-06-22 US disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US disclosed
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 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 (2 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-20230192692-A1 MACROCYCLIC AND CAGE-LIKE MOLECULE BASED ON BIPHEN[n]ARENE AND DERIVATIVE, SYNTHESIS METHOD AND USE THEREOF TPMT, NUDT1, PNP NQO2 2476/4885CA2 366/4885CA4 1379/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS NQO2 1001/4885CA2 639/4885CA4 526/4885

“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.