SCHEMBL25583367

SCHEMBL25583367

CC(C)c1ccc(-c2cccc(C(C)(C)C)c2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 10/20 0.56
▸ AKR1C2 P52895 10/20 0.56
▸ PTPN5 P54829 3/20 0.46
▸ PTGS1 P23219 3/20 0.46
▸ PTGS2 P35354 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ FABP2 P12104 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ AKR1C4 P17516 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL25581911 0.84 KIF11 (0.49) AKR1C3AKR1C2PTPN5KIF11
SCHEMBL14328021 0.83 AKR1C3 (0.69) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL12570867 0.81 AKR1C3 (0.51) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL9254405 0.79 AKR1C3 (0.57) AKR1C3AKR1C2PTPN5CYP1A2CYP2C9
SCHEMBL9261780 0.79 PTPN5 (0.46) AKR1C3AKR1C2PTPN5LMNAKIF11
SCHEMBL2739316 0.79 AKR1C3 (0.68) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL21571884 0.78 AKR1C3 (0.56) AKR1C3AKR1C2KIF11
SCHEMBL12050566 0.77 SCD (0.49) AKR1C3AKR1C2PTPN5KIF11
SCHEMBL24721249 0.76 AKR1C3 (0.56) AKR1C3AKR1C2PTPN5
SCHEMBL18210654 0.75 FFAR1 (0.43) AKR1C3AKR1C2PTGS2KIF11

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-20230183191-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-15 — — 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-20230183191-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE CNOT1, NXF1, NR2E1 AKR1C3 3047/4885AKR1C2 4058/4885PTPN5 3096/4885

“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.

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