SCHEMBL17080933

SCHEMBL17080933

CCCOc1ccc(C=C(Br)Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
LTA4H P09960 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46

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
SCHEMBL17246786 0.93 LTA4H (0.50) MEN1KMT2ALTA4HABCG2CYP2C9
SCHEMBL16288430 0.85 NQO1 (0.56) KMT2APTGS2LTA4HNPC1RAB9A
SCHEMBL8865077 0.80 AKR1C3 (0.53) MEN1KMT2APTGS1PTGS2LTA4H
SCHEMBL8865062 0.80 AKR1C3 (0.53) MEN1KMT2APTGS1PTGS2LTA4H
SCHEMBL6333085 0.79 MEN1 (0.60) MEN1KMT2APTGS1PTGS2LTA4H
SCHEMBL6333082 0.79 MEN1 (0.60) MEN1KMT2APTGS1PTGS2LTA4H
SCHEMBL9546916 0.78 PTGS1 (0.69) MEN1KMT2APTGS1PTGS2LTA4H
SCHEMBL5248593 0.78 MEN1 (0.63) MEN1KMT2APTGS1PTGS2LTA4H
SCHEMBL8713169 0.78 MAPT (0.39) MEN1KMT2APTGS1PTGS2TUBB1
SCHEMBL13845321 0.77 MEN1 (0.54) MEN1KMT2APTGS1PTGS2LTA4H

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-9896479-B2 Functionalized naphthalene fluorophores Kay M. Brummond (US) 2018-02-20 US disclosed
US-20160046666-A1 FUNCTIONALIZED NAPHTHALENE FLUOROPHORES BRUMMOND, KAY M 2016-02-18 US disclosed
US-9133234-B2 Functionalized naphthalene fluorophores Brummond, Kay M. (US) 2015-09-15 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-20160046666-A1 FUNCTIONALIZED NAPHTHALENE FLUOROPHORES NCL, SNW1, NEK1 MEN1 1725/4885KMT2A 3903/4885PTGS1 4022/4885

“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.