SCHEMBL4449680

SCHEMBL4449680

CP(C)Cc1cccc(CP(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
TP53 P04637 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.33
NOS3 P29474 3/20 0.32
NOS1 P29475 3/20 0.32

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
SCHEMBL1357485 0.80 TSHR (0.48) TAAR1ALDH1A1TP53LOXL2TRPA1
Bromide SCHEMBL8601709 0.78 TSHR (0.46) TAAR1ALDH1A1TP53LOXL2TRPA1
Hydrochloric Acid SCHEMBL30473262 0.78 TSHR (0.46) MEN1KMT2ATAAR1ALDH1A1TP53
SCHEMBL11760469 0.76 CYP1A2 (0.44) CYP1A2TP53SMN1; SMN2CYP3A4SLC6A2
Bromide SCHEMBL31215166 0.76 TSHR (0.43) TAAR1ALDH1A1TP53LOXL2TRPA1
Bromide SCHEMBL28096513 0.76 TSHR (0.43) TAAR1ALDH1A1TP53LOXL2TRPA1
Bromide SCHEMBL28096512 0.76 TSHR (0.43) TAAR1ALDH1A1TP53LOXL2TRPA1
SCHEMBL4453189 0.74 TP53 (0.36) MEN1KMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL11762652 0.74 CYP2A6 (0.59) KMT2ACYP1A2ACHEIDO1SIGMAR1
SCHEMBL1466085 0.72 TAAR1 (0.38) MEN1KMT2ATAAR1GRIN2DGRIN3B

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 MEN1 36/4885KMT2A 1429/4885CYP1A1 2841/4885

“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.