SCHEMBL27210452

SCHEMBL27210452

Cc1ccc(C(=O)c2c(C(=O)O)c(C(=O)O)c3c(C)cc(C)cn23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.44
▸ AKR1C3 P42330 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ CES2 O00748 2/20 0.33
▸ CES1 P23141 2/20 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
SCHEMBL24749862 0.83 TDP1 (0.44) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL24748979 0.75 KDM4E (0.39) ALDH1A1LMNASMN1; SMN2KMT2AHPGD
SCHEMBL24748942 0.75 CA1 (0.43) ALDH1A1LMNASMN1; SMN2KMT2AHPGD
SCHEMBL24748614 0.75 CYP1A2 (0.43) ALDH1A1LMNASMN1; SMN2KMT2AHPGD
SCHEMBL24748595 0.72 KDM4E (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1TDP1
SCHEMBL9856924 0.68 ALDH1A1 (0.65) SRD5A2AKR1C3ALDH1A1LMNASMN1; SMN2
SCHEMBL11016599 0.66 SRD5A2 (0.50) SRD5A2AKR1C3ALDH1A1LMNASMN1; SMN2
SCHEMBL24749034 0.65 GLA (0.42) ALDH1A1LMNASMN1; SMN2KMT2AHPGD
SCHEMBL10988695 0.65 SRD5A2 (0.63) SRD5A2ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3288949 0.64 LMNA (0.59) SRD5A2AKR1C3ALDH1A1LMNASMN1; SMN2

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-11974991-B1 Adenosine receptor activity of methyl/ethyl 3-(substituted benzoyl)-6,8-dimethylindolizine-2-substituted-1-carboxylates King Faisal University (SA) 2024-05-07 — — 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-11974991-B1 Adenosine receptor activity of methyl/ethyl 3-(substituted benzoyl)-6,8-dimethylindolizine-2-substituted-1-carboxylates ADORA2A, ADORA1, ADORA3 SRD5A2 2524/4885AKR1C3 1015/4885ALDH1A1 943/4885

“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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