SCHEMBL15423256

SCHEMBL15423256

CC(C)CCCCn1ccc2cc(Br)ccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.58
▸ HTR2C P28335 2/20 0.58
▸ HTR7 P34969 5/20 0.50
▸ NTSR1 P30989 1/20 0.48
▸ PLG P00747 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ CDK4 P11802 3/20 0.44
▸ CCND1 P24385 3/20 0.44
▸ PSMB1 P20618 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ ACLY P53396 1/20 0.38

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
SCHEMBL22930053 0.95 HTR2A (0.60) HTR2AHTR2CHTR7NTSR1PLG
SCHEMBL8005045 0.89 HTR2A (0.63) HTR2AHTR2CHTR7NTSR1PSMB1
SCHEMBL764347 0.89 HTR2A (0.56) HTR2AHTR2CHTR7NTSR1PLG
SCHEMBL18856950 0.83 HTR2A (0.55) HTR2AHTR2CHTR7NTSR1PLG
SCHEMBL28550149 0.82 HTR2A (0.54) HTR2AHTR2CHTR7NTSR1PLG
SCHEMBL22930065 0.82 HTR2A (0.54) HTR2AHTR2CHTR7NTSR1PLG
SCHEMBL15550237 0.82 HTR2A (0.54) HTR2AHTR2CHTR7NTSR1PLG
SCHEMBL4939152 0.81 HTR2A (0.56) HTR2AHTR2CHTR7NTSR1PLG
SCHEMBL765074 0.81 HTR2A (0.48) HTR2AHTR2CHTR7NTSR1PLG
SCHEMBL28993624 0.80 HTR2A (0.51) HTR2AHTR2CHTR7NTSR1PLG

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-8987321-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-03-24 — — US disclosed
US-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-01-16 — — 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-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI HTR2A 917/4885HTR2C 822/4885HTR7 385/4885

“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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