SCHEMBL221617

SCHEMBL221617

BrCCCOc1ccc(-c2ccc(OCCCBr)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
HRH3 Q9Y5N1 8/20 0.47
LSS P48449 1/20 0.47
CYP19A1 P11511 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
KCNA3 P22001 1/20 0.44
RARB P10826 3/20 0.42
HRH1 P35367 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL2530176 0.92 KCNA3 (0.50) KCNA3
SCHEMBL4219044 0.91 LSS (0.59) HRH3LSSKCNA3HRH1HDAC3
SCHEMBL5419110 0.91 RARB (0.51) CYP3A4CYP2D6HRH3KCNA3RARB
SCHEMBL11178061 0.89 DRD4 (0.50) HRH3HRH1KCNH2
SCHEMBL11613225 0.87 KCNA3 (0.52) CYP2D6HRH3KCNA3KCNH2
SCHEMBL15810293 0.86 MMP2 (0.58) HRH3HRH1HDAC1HDAC2
SCHEMBL7147877 0.85 KDM4E (0.49) CYP3A4CYP2D6HRH3LSSRARB
SCHEMBL4892264 0.85 KCNA3 (0.58) HRH3LSSKCNA3HRH1HDAC3
SCHEMBL12517712 0.84 GSTP1 (0.53) CYP3A4CYP2D6HRH3LSSCYP1A2
SCHEMBL11615899 0.84 KCNA3 (0.55) CYP2D6HRH3KCNA3KCNH2

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-8431039-B2 Mesogenic stabilizers TRANSITIONS OPTICAL, INC. (US) 2013-04-30 US disclosed
US-20120002141-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-05 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-20120002141-A1 MESOGENIC STABILIZERS BMI1, METTL14, PYM1 CYP3A4 3686/4885CYP2D6 3875/4885HRH3 126/4885

“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.