SCHEMBL7122044

SCHEMBL7122044

COc1cc(C(O)C(F)(F)F)cc(O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.50
TUBB4A P04350 3/20 0.50
TUBB P07437 3/20 0.50
TUBA3C P0DPH7 3/20 0.50
TUBA1B P68363 3/20 0.50
TUBA4A P68366 3/20 0.50
TUBB4B P68371 3/20 0.50
TUBB3 Q13509 3/20 0.50
TUBB2A Q13885 3/20 0.50
TUBB8 Q3ZCM7 3/20 0.50
TUBA3E Q6PEY2 3/20 0.50
TUBA1A Q71U36 3/20 0.50
TUBA1C Q9BQE3 3/20 0.50
TUBB6 Q9BUF5 3/20 0.50
TUBB2B Q9BVA1 3/20 0.50
TPMT P51580 1/20 0.44
MAPT P10636 2/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 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
SCHEMBL7131005 0.83 TUBB1 (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7121042 0.82 CA12 (0.41) MAPTCYP3A4TSHRBLMNFKB1
SCHEMBL7128355 0.78 TSHR (0.58) CYP3A4TSHRBLMNFKB1NPSR1
SCHEMBL7125059 0.78 TUBB4A (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13788860 0.77 TUBB1 (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15794454 0.75 TUBB1 (0.36) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14320994 0.74 ALDH1A1 (0.39) TPMTMAPTCYP3A4
SCHEMBL7120860 0.74 PPARG (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8824090 0.73 BLM (0.64) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15538701 0.72 RARG (0.34) MAPT

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-20030144541-A1 Process for preparing alpha-halogenated retones RHODIA CHIMIE (FR) 2003-07-31 US disclosed
EP-1250303-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2002-10-23 EP disclosed
WO-2001055067-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2001-08-02 WO 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-20030144541-A1 Process for preparing alpha-halogenated retones ADH1A, ADH1C, RER1 TUBB1 2362/4885TUBB4A 2363/4885TUBB 3106/4885

“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.