SCHEMBL195058

SCHEMBL195058

CCCCOc1cc(Br)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
TUBB1 Q9H4B7 4/20 0.45
TUBB4A P04350 3/20 0.45
TUBB P07437 3/20 0.45
TUBA3C P0DPH7 3/20 0.45
TUBA1B P68363 3/20 0.45
TUBA4A P68366 3/20 0.45
TUBB4B P68371 3/20 0.45
TUBB3 Q13509 3/20 0.45
TUBB2A Q13885 3/20 0.45
TUBB8 Q3ZCM7 3/20 0.45
TUBA3E Q6PEY2 3/20 0.45
TUBA1A Q71U36 3/20 0.45
TUBA1C Q9BQE3 3/20 0.45
TUBB6 Q9BUF5 3/20 0.45
TUBB2B Q9BVA1 3/20 0.45
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL8933958 0.85 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MAPT
SCHEMBL7923577 0.84 ACHE (0.63) PTGS2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL429756 0.80 ACHE (0.59) PTGS2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL10080322 0.79 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2MAPTCYP3A4TDP1
SCHEMBL12264984 0.79 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2C19MAPTTP53
SCHEMBL6947358 0.78 ACHE (0.56) PTGS2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL1337032 0.78 ACHE (0.56) PTGS2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL21821361 0.78 THRA (0.47) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30522290 0.78 THRA (0.47) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22542317 0.77 ALOX5 (0.46) PTGS2ALOX15ALOX12CYP1A2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 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 (3 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 PTGS2 4402/4885TUBB1 2492/4885TUBB4A 2910/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PTGS2 2553/4885TUBB1 1697/4885TUBB4A 1556/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PTGS2 2604/4885TUBB1 1902/4885TUBB4A 1798/4885

“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.