SCHEMBL17138166

SCHEMBL17138166

CCCCC(CC)C(=O)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(OC(=O)C(CC)CCCC)c1OC(=O)C(CC)CCCC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.49
CREB1 P16220 2/20 0.48
EGFR P00533 15/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL17138137 0.81 BCHE (0.58) ABCB1KDM4EALDH1A1CYP3A4HPGD
SCHEMBL17138215 0.78 ADORA3 (0.60) ABCB1EGFRKDM4EALDH1A1CYP1A2
SCHEMBL433000 0.73 CREB1 (0.60) ABCB1CREB1KDM4EPOLBABCG2
SCHEMBL12792821 0.72 ABCB1 (0.66) ABCB1CREB1EGFRKDM4EALDH1A1
SCHEMBL17938465 0.72 CA2 (0.56) KDM4EALDH1A1CYP3A4
SCHEMBL20519779 0.71 KDM4E (0.47) KDM4EALDH1A1CYP3A4
SCHEMBL971180 0.71 CREB1 (0.66) ABCB1CREB1KDM4EALDH1A1CYP3A4
SCHEMBL17138145 0.71 ADORA3 (0.51) ABCB1KDM4EALDH1A1CYP3A4ABCG2
SCHEMBL973627 0.71 CREB1 (0.74) ABCB1CREB1ABCG2
SCHEMBL17138192 0.71 CA2 (0.51) KDM4EALDH1A1CYP3A4

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-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF RNS CO.,LTD. (KR) 2015-10-08 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-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF HRH3, CBR3, H1-0 ABCB1 4482/4885CREB1 589/4885EGFR 2318/4885

“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.