SCHEMBL25530531

SCHEMBL25530531

CC(C)(C)CCc1ccc(C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ DAO P14920 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ POLQ O75417 8/20 0.37
▸ ESRRG P62508 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ TRPV1 Q8NER1 1/20 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
SCHEMBL25562870 0.84 DAO (0.42) DAOCYP1A2CYP2C19KIF11POLQ
SCHEMBL25530518 0.82 CYP1A2 (0.41) DAOCYP1A2CYP2C19KIF11POLQ
SCHEMBL14297621 0.80 KLF10 (0.43) DAOCYP1A2CYP2C19KIF11POLQ
SCHEMBL25530533 0.79 CYP1A2 (0.41) DAOCYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL19789643 0.78 PDE3B (0.47) PDE3BPDE3ADAOCYP1A2IDO1
SCHEMBL24721914 0.76 KIF11 (0.38) CYP1A2CYP2C19KIF11ESRRGCYP2D6
SCHEMBL25594632 0.76 CYP2C19 (0.64) CYP1A2CYP2C19KIF11POLQCYP2D6
SCHEMBL10442609 0.75 CYP1A2 (0.47) DAOCYP1A2CYP2C19KIF11CYP2D6
SCHEMBL17891892 0.74 PDE3B (0.44) PDE3BPDE3AKIF11
SCHEMBL17831713 0.74 PDE3B (0.44) PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — US disclosed
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 PDE3B 3457/4885PDE3A 3780/4885DAO 161/4885

“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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