SCHEMBL4449679

SCHEMBL4449679

CC(C)(P)c1cccc(C(C)(C)P)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MAPK1 P28482 2/20 0.38
KIF11 P52732 1/20 0.37
KCNN4 O15554 1/20 0.36
PGK1 P00558 2/20 0.36
PGK2 P07205 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALOX15 P16050 1/20 0.35
ACHE P22303 4/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3708602 0.81 MAPK1 (0.50) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL2341327 0.80 ESR1 (0.41) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL25786332 0.80 KIF11 (0.47) KIF11TAAR1ACHE
Bromide SCHEMBL8601711 0.79 MAPK1 (0.48) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL129151 0.78 HDAC8 (0.56) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL2241265 0.75 ESR1 (0.46) ESR1ESR2HDAC4HDAC2HDAC8
Water SCHEMBL29289408 0.75 HDAC8 (0.54) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL25505057 0.75 HDAC8 (0.44) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL23026518 0.73 ESR1 (0.44) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL5450074 0.73 ESR1 (0.44) ESR1ESR2HDAC4HDAC2HDAC8

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
CN-101448773-B Metal complexes for use in the carbonylation of ethylenically unsaturated compounds LUCITE INT UK LTD 2015-02-11 CN disclosed
US-8445711-B2 Metal complexes LUCITE INTERNATIONAL UK LIMITED (GB) 2013-05-21 US disclosed
US-20090312561-A1 METAL COMPLEXES LUCITE INTERNATIONAL UK LIMITED (GB) 2009-12-17 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-20090312561-A1 METAL COMPLEXES MLX, PICALM, AP2M1 ESR1 3034/4885ESR2 3317/4885HDAC4 3138/4885

“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.