SCHEMBL24915591

SCHEMBL24915591

Cc1cc2c(C(C)C)cccc2nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.48
LMNA P02545 2/20 0.45
GPR3 P46089 1/20 0.41
CYP1A2 P05177 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
UHRF1 Q96T88 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
NUDT1 P36639 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BCL2L11 O43521 1/20 0.38
BCL2L1 Q07817 1/20 0.38
BACE1 P56817 1/20 0.37
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP3A4 P08684 1/20 0.36
GABRA1 P14867 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL24915597 0.80 BCL2L11 (0.42) DHFRLMNAHPGDBCL2L11BCL2L1
SCHEMBL24915593 0.80 LMNA (0.41) DHFRLMNACYP1A2ALDH1A1HPGD
SCHEMBL24915592 0.80 GRM1 (0.43) DHFRLMNAGPR3CYP1A2ALDH1A1
SCHEMBL862361 0.79 PDE3B (0.49) DHFRGPR3CYP1A2OPRM1OPRD1
SCHEMBL13870809 0.78 PDE10A (0.44) DHFRLMNACYP1A2ALDH1A1BCL2L11
Bromide SCHEMBL5143894 0.75 HPGD (0.53) LMNACYP1A2ALDH1A1HPGDBCL2L11
SCHEMBL7516105 0.74 ALDH1A1 (0.48) DHFRLMNAGPR3CYP1A2OPRM1
SCHEMBL29923623 0.74 BACE1 (0.47) DHFRLMNAGPR3CYP1A2OPRM1
SCHEMBL24916325 0.74 BACE1 (0.47) DHFRLMNAGPR3CYP1A2OPRM1
SCHEMBL19009892 0.74 LMNA (0.47) DHFRLMNACYP1A2ALDH1A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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 (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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 DHFR 2700/4885LMNA 3551/4885GPR3 2587/4885

“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.