SCHEMBL20180909

SCHEMBL20180909

OCCN[C@@H]1CCCc2c1[nH]c1ccc(-c3ccccc3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC42 P60953 1/20 1.00
GAA P10253 1/20 0.69
CASP6 P55212 1/20 0.69
PRMT5 O14744 2/20 0.53
CYP2D6 P10635 2/20 0.52
BRD3 Q15059 7/20 0.49
KCNH2 Q12809 1/20 0.47
RB1 P06400 4/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL5454054 1.00 CDC42 (1.00) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL12922440 0.90 CDC42 (0.82) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL5449921 0.89 CDC42 (0.80) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL24863190 0.87 CDC42 (0.77) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL15167010 0.87 CDC42 (0.77) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL5461141 0.87 CDC42 (0.76) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL22135739 0.86 CDC42 (0.76) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL5461734 0.86 CDC42 (0.76) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL31721161 0.85 CDC42 (0.74) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL31721117 0.85 CDC42 (0.74) CDC42GAACASP6PRMT5CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10405538-B2 Platelet storage methods and compositions for same CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2019-09-10 US disclosed
US-20180139952-A1 PLATELET STORAGE METHODS AND COMPOSITIONS FOR SAME PLATEFUSE, INC. 2018-05-24 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-20180139952-A1 PLATELET STORAGE METHODS AND COMPOSITIONS FOR SAME RHOA, ARHGDIB, ARHGDIA CDC42 11/4885GAA 2228/4885CASP6 3719/4885
US-10405538-B2 Platelet storage methods and compositions for same RHOA, ARHGDIB, ARHGDIA CDC42 11/4885GAA 2228/4885CASP6 3719/4885

“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.