SCHEMBL15036875

SCHEMBL15036875

NCCCOc1cc(-c2cc(-c3ccccc3)cc(-c3cc(OCCCN)c(OCCCN)c(OCCCN)c3)c2)cc(OCCCN)c1OCCCN

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ PTPN1 P18031 1/20 0.38
▸ MELK Q14680 1/20 0.38
▸ CYBB P04839 1/20 0.37
▸ NCF1 P14598 1/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAOA P21397 1/20 0.35

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
SCHEMBL16419762 0.92 CYP1A2 (0.45) HTR1BTP53MAPK1RAB9AMELK
SCHEMBL15036883 0.79 TAAR1 (0.48) TAAR1
SCHEMBL16419784 0.78 HTR1B (0.40) HTR1BMAPK1KDM4EMELKSMN1; SMN2
SCHEMBL4355741 0.74 HTR1B (0.40) HTR1BTP53KDM4ESMN1; SMN2MAOA
SCHEMBL11017858 0.73 TP53 (0.79) HTR1BTP53MAPK1RAB9AKDM4E
SCHEMBL11763590 0.72 KDM4E (0.73) HTR1BTP53MAPK1RAB9AKDM4E
SCHEMBL16419742 0.72 LTA4H (0.49) MAPK1RAB9APTPN1TAAR1SMN1; SMN2
SCHEMBL16419754 0.72 BCHE (0.40) HTR1BMAPK1RAB9AKDM4ESMN1; SMN2
SCHEMBL10679411 0.72 LSS (0.59) TAAR1
SCHEMBL10682119 0.71 LTA4H (0.55) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469616-B2 Cyclic compounds and methods of making and using the same CELLCEUTIX CORPORATION (US) 2016-10-18 — — US disclosed
US-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF MASSACHUSETTS (US) 2015-01-29 — — US disclosed
US-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF MASSACHUSETTS (US) 2015-01-29 — — US disclosed
WO-2013090185-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME POLYMEDIX, INC. (US) 2013-06-20 — — WO 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-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MUC1, TLR3, ALG1 HTR1B 4113/4885TP53 725/4885MAPK1 289/4885

“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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