SCHEMBL23919954

SCHEMBL23919954

CC(C)(C)c1cc(C(C)(C)C)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
BACE1 P56817 2/20 0.43
ATM Q13315 1/20 0.43
ELANE P08246 1/20 0.42
CYP1A2 P05177 1/20 0.41
GPR3 P46089 1/20 0.39
NCF1 P14598 1/20 0.39
POLB P06746 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAOA P21397 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
NQO2 P16083 1/20 0.38

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
SCHEMBL11891520 0.87 BACE1 (0.51) BACE1CYP1A2TLR7ALDH1A1SMN1; SMN2
SCHEMBL803410 0.81 CYP1A2 (0.60) CYP1A2GPR3NCF1KDM4EALDH1A1
SCHEMBL11955138 0.81 CYP1A2 (0.60) HMGCRBACE1CYP1A2GPR3NCF1
SCHEMBL12401857 0.79 KDM4E (0.47) BACE1ATMELANECYP1A2POLB
SCHEMBL18232566 0.79 BACE1 (0.69) BACE1ATMCYP1A2NCF1POLB
SCHEMBL25118744 0.79 ATM (0.46) BACE1ATMELANECYP1A2GPR3
SCHEMBL4632695 0.79 MAOA (0.45) HMGCRBACE1ATMELANECYP1A2
SCHEMBL23479557 0.79 BACE1 (0.46) BACE1ATMELANECYP1A2GPR3
SCHEMBL19735260 0.79 ACACA (0.51) HMGCRKDM4EALDH1A1HPGDTDP1
SCHEMBL19735254 0.78 ACACA (0.50) HMGCRATMKDM4ERAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-20230295130-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK MEDICINES, INC. (CN) 2023-09-21 US disclosed
US-20210317114-A1 SMALL MOLECULE INHIBITORS OF INTERLEUKIN-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2021-10-14 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-20230295130-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF CDK7, CDK6, CDK9 HMGCR 3366/4885BACE1 3036/4885ATM 491/4885
US-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 HMGCR 3875/4885BACE1 3455/4885ATM 3300/4885
US-20210317114-A1 SMALL MOLECULE INHIBITORS OF INTERLEUKIN-4 IL4, IL2, IL4I1 HMGCR 3875/4885BACE1 3455/4885ATM 3300/4885

“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.