SCHEMBL3465408

SCHEMBL3465408

CCC[CH]c1ccc(OC)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.54
▸ HPGD P15428 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CTSL P07711 3/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ FDPS P14324 1/20 0.41
▸ APP P05067 1/20 0.41

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
SCHEMBL7183440 0.83 ALDH1A1 (0.62) TUBB1HPGDALDH1A1TSHRCYP1A2
SCHEMBL155784 0.79 ALDH1A1 (0.68) TUBB1HPGDPOLBALDH1A1MEN1
SCHEMBL29723752 0.79 ALDH1A1 (0.68) TUBB1HPGDPOLBALDH1A1MEN1
SCHEMBL3465192 0.78 ALDH1A1 (0.49) TUBB1HPGDPOLBALDH1A1MEN1
SCHEMBL3465277 0.76 ALDH1A1 (0.53) TUBB1HPGDPOLBALDH1A1MEN1
SCHEMBL24758056 0.76 TUBB1 (0.59) TUBB1HPGDPOLBALDH1A1MEN1
SCHEMBL6096855 0.76 TUBB1 (0.59) TUBB1HPGDPOLBALDH1A1MEN1
SCHEMBL6096857 0.76 TUBB1 (0.59) TUBB1HPGDPOLBALDH1A1MEN1
SCHEMBL16953654 0.76 TUBB1 (0.59) TUBB1HPGDPOLBALDH1A1MEN1
SCHEMBL21020994 0.75 TUBB1 (0.62) TUBB1HPGDPOLBALDH1A1MEN1

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-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 — — US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 — — US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 — — 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 TUBB1 1542/4885HPGD 1380/4885POLB 2974/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 TUBB1 1599/4885HPGD 227/4885POLB 1195/4885

“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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