SCHEMBL24344637

SCHEMBL24344637

CN(C)Cc1cc(OCCO)cc(OCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 2/20 0.43
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
GSR P00390 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1I2 O75469 1/20 0.38
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL24343901 0.90 APP (0.47) HRH3SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL16013220 0.89 HRH3 (0.46) HRH3SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL14075734 0.84 HRH3 (0.50) HRH3ALDH1A1LMNAMAPTGAA
SCHEMBL30457592 0.81 HRH3 (0.53) HRH3ALDH1A1SMN1; SMN2
SCHEMBL16013483 0.80 HRH3 (0.38) HRH3ALDH1A1LMNAMAPTGAA
SCHEMBL16013562 0.79 HRH3 (0.47) HRH3ALDH1A1LMNAMAPTGAA
SCHEMBL5378158 0.78 ALDH1A1 (0.59) ALDH1A1RECQLGAATSHRALOX15
SCHEMBL18210964 0.77 ALDH1A1 (0.48) HRH3ALDH1A1RECQLGAATSHR
SCHEMBL21291724 0.76 PPARA (0.48) HRH3ALDH1A1
SCHEMBL24343299 0.76 APP (0.46) ALDH1A1RECQLLMNAMAPTNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME 7 Hills Pharma LLC (US) 2022-04-21 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-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME ICOS, CD47, CD274 HRH3 123/4885SLC6A2 2751/4885SLC6A4 3665/4885

“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.