SCHEMBL25037452

SCHEMBL25037452

CCc1coc2ccc(C(C)(C)C)cc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PON1 P27169 1/20 0.51
▸ TP53 P04637 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MTNR1A P48039 7/20 0.39
▸ HTR1A P08908 2/20 0.38
▸ HTR1D P28221 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ MTNR1B P49286 3/20 0.38
▸ NQO2 P16083 3/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ THRB P10828 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
SCHEMBL21116465 0.85 TP53 (0.46) TP53MAPTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL25037449 0.80 MAPT (0.47) PON1TP53MAPTSMN1; SMN2MTNR1A
SCHEMBL30956065 0.78 KMT2A (0.43) PON1TP53MAPTSMN1; SMN2NQO2
SCHEMBL11582560 0.77 ALDH1A1 (0.55) TP53MAPTSMN1; SMN2CYP2D6THRB
SCHEMBL10222548 0.77 TP53 (0.59) TP53MAPTSMN1; SMN2MTNR1ATHRB
SCHEMBL13561307 0.77 PON1 (0.41) PON1MAPT
SCHEMBL2707035 0.77 PON1 (0.41) PON1MAPTHTR1D
SCHEMBL13462293 0.75 PTPN1 (0.50) TP53MAPTSMN1; SMN2MTNR1AHTR1A
SCHEMBL2267233 0.75 NPC1 (0.49) TP53MAPTSMN1; SMN2MTNR1A
SCHEMBL4452486 0.75 PTPN1 (0.50) TP53MAPTSMN1; SMN2MTNR1AHTR1A

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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 PON1 3785/4885TP53 2372/4885MAPT 845/4885

“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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