SCHEMBL5013871

SCHEMBL5013871

Oc1cccc(O)c1C1=C2C=CC(=N2)C(c2ccccc2)=C2C=CC(=N2)C(c2c(O)cccc2O)=C2C=CC(=N2)C(c2ccccc2)=C2C=CC1=N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ BCL2L1 Q07817 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ BACE1 P56817 3/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HSD17B1 P14061 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
SCHEMBL5015297 1.00 KDM4E (0.38) KDM4EALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL9404581 0.83 HPGD (0.47) ALDH1A1HPGDBCL2L1HSD17B10IDO1
SCHEMBL7996476 0.82 ALDH1A1 (0.35) KDM4EALDH1A1HPGDALOX15RAB9A
SCHEMBL28180007 0.82 ALDH1A1 (0.35) KDM4EALDH1A1HPGDALOX15RAB9A
SCHEMBL14562749 0.82 ALDH1A1 (0.35) KDM4EALDH1A1HPGDALOX15RAB9A
SCHEMBL28807262 0.82 ALDH1A1 (0.35) KDM4EALDH1A1HPGDALOX15RAB9A
SCHEMBL2517442 0.82 ALDH1A1 (0.35) KDM4EALDH1A1HPGDALOX15RAB9A
SCHEMBL27979361 0.82 ALDH1A1 (0.35) KDM4EALDH1A1HPGDALOX15RAB9A
SCHEMBL6292615 0.81 MMP3 (0.50) BCL2L1ESR1ESR2ADORA2AADORA1
SCHEMBL28049798 0.81 MMP3 (0.50) BCL2L1ESR1ESR2ADORA2AADORA1

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 3 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-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-06-09 — — 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 (2 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 KDM4E 1717/4885ALDH1A1 3259/4885HPGD 473/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS KDM4E 3390/4885ALDH1A1 953/4885HPGD 611/4885

“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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