SCHEMBL24933869

SCHEMBL24933869

Cc1cccc2c1C(C)(C)c1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PGR P06401 3/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 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
SCHEMBL883417 0.86 DAO (0.43) PGRTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL29108776 0.82 NPSR1 (0.37) PDK2ESR1ESR2PGRTSHR
SCHEMBL25841356 0.80 PGR (0.41) PDK2ESR1ESR2PGRCYP1A2
SCHEMBL19577694 0.80 ESR1 (0.47) PDK2ESR1ESR2TSHRACHE
SCHEMBL24731746 0.79 PDK2 (0.46) PDK2PGRTSHRMLNRNR1I2
SCHEMBL22373801 0.79 PGR (0.33) PDK2ESR1ESR2PGRTSHR
SCHEMBL29850726 0.78 PGR (0.37) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL3271140 0.78 PGR (0.37) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL660420 0.78 PGR (0.37) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL283246 0.78 HTR2A (0.48) PDK2PGRMLNRNR1I2CHRM2

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-20230124929-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-04-20 US disclosed
US-20230043088-A1 Organic Light Emitting Device LG CHEM, LTD. (KR) 2023-02-09 US disclosed
WO-2023284022-A1 PHENANTHROIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 广东工业大学 2023-01-19 WO 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-20230124929-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS EXOC1, RPS10, EXOSC10 PDK2 3622/4885ESR1 45/4885ESR2 42/4885

“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.