SCHEMBL5011902

SCHEMBL5011902

CCCCNc1ccccc1-c1c2nc(cc3ccc([nH]3)c(-c3ccccc3NCCCC)c3nc(cc4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ PDE5A O76074 1/20 0.40
▸ BCHE P06276 1/20 0.38
▸ TRPC3 Q13507 1/20 0.38
▸ TRPC4 Q9UBN4 1/20 0.38
▸ TRPC5 Q9UL62 1/20 0.38
▸ TLR8 Q9NR97 2/20 0.38
▸ UTS2R Q9UKP6 5/20 0.37
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GCGR P47871 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL5011946 0.96 STAT1 (0.48) STAT3STAT1PDE5ABCHETRPC3
SCHEMBL5013794 0.78 STAT3 (0.53) STAT3STAT1KDM4ENPSR1L3MBTL1
SCHEMBL6081642 0.78 STAT3 (0.59) STAT3STAT1CYP3A4CYP2D6CYP1A2
SCHEMBL5892121 0.78 STAT3 (0.47) STAT3STAT1CYP3A4CYP2D6CYP1A2
SCHEMBL8689812 0.77 STAT3 (0.60) STAT3STAT1NPSR1ALDH1A1
SCHEMBL5140622 0.76 STAT1 (0.56) STAT3STAT1UTS2RALDH1A1
SCHEMBL311440 0.75 STAT3 (0.55) STAT3STAT1
SCHEMBL9514951 0.75 STAT3 (0.58) STAT3STAT1NPSR1ALDH1A1
SCHEMBL27579991 0.75 STAT3 (0.58) STAT3STAT1NPSR1ALDH1A1
SCHEMBL5011854 0.74 STAT3 (0.60) STAT3STAT1KDM4ENPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417142-B2 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, INC. (US) 2008-08-26 — — US disclosed
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 — — US disclosed
US-6951935-B2 Heteroatom-substituted porphyrins and methods for synthesis of same UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-10-04 — — US disclosed
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-06-09 — — US disclosed
US-20030236400-A1 Heteroatom-substituted porphyrins and methods for synthesis of same UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2003-12-25 — — 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 (3 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-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG STAT3 3817/4885STAT1 4312/4885PDE5A 4861/4885
US-20030236400-A1 Heteroatom-substituted porphyrins and methods for synthesis of same PPOX, HMBS, UROD STAT3 4156/4885STAT1 3973/4885PDE5A 4736/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS STAT3 2986/4885STAT1 3579/4885PDE5A 4661/4885

“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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