SCHEMBL10227932

SCHEMBL10227932

CCC(C)(Cl)c1ccc(C(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(=O)c6ccc(Cl)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.45
▸ PPARA Q07869 3/20 0.44
▸ PPARG P37231 2/20 0.44
▸ FABP2 P12104 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ ENPP3 O14638 1/20 0.42
▸ ENPP1 P22413 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MMP1 P03956 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL13266241 0.93 PPARA (0.44) ELANEPPARAPPARGFABP2SLC22A12
SCHEMBL11926920 0.88 ALDH1A1 (0.42) ELANEHPGDSMN1; SMN2MMP1MAPT
SCHEMBL12113485 0.88 ELANE (0.49) ELANEPPARAPPARGFABP2SLC22A12
SCHEMBL823270 0.86 PPARA (0.48) ELANEPPARAPPARGFABP2SLC22A12
SCHEMBL13266246 0.83 CYP3A4 (0.38) PPARAHPGDSMN1; SMN2MMP1MAPT
SCHEMBL13082191 0.83 HSD11B1 (0.42) HPGDSMN1; SMN2MMP1MAPTCYP3A4
SCHEMBL809347 0.83 HPGD (0.56) ELANEPPARAPPARGFABP2SLC22A12
SCHEMBL822929 0.83 HPGD (0.56) ELANEPPARAPPARGFABP2SLC22A12
SCHEMBL17207952 0.83 HPGD (0.56) ELANEPPARAPPARGFABP2SLC22A12
SCHEMBL12960262 0.83 HPGD (0.56) ELANEPPARAPPARGFABP2SLC22A12

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-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 — — US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 — — 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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 ELANE 4765/4885PPARA 3957/4885PPARG 3981/4885

“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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