SCHEMBL6320470

SCHEMBL6320470

COc1ccc(C(O)(CCN(Cc2ccccc2)Cc2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
ACHE P22303 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KIF11 P52732 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LTA4H P09960 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9750628 0.85 TSHR (0.57) TSHRSMN1; SMN2MAPK1ACHEALDH1A1
SCHEMBL7608480 0.84 L3MBTL1 (0.52) SMN1; SMN2LMNAL3MBTL1
SCHEMBL11115170 0.84 TSHR (0.56) TSHRSMN1; SMN2MAPK1HTTLMNA
SCHEMBL11114118 0.81 TSHR (0.52) TSHRSMN1; SMN2MAPK1LMNAACHE
SCHEMBL6320217 0.81 SMN1; SMN2 (0.46) SMN1; SMN2HTTKCNH2SIGMAR1OPRK1
SCHEMBL6326374 0.81 SMN1; SMN2 (0.46) SMN1; SMN2HTTKCNH2SIGMAR1OPRK1
SCHEMBL11109990 0.80 TSHR (0.51) TSHRSMN1; SMN2ACHESIGMAR1
SCHEMBL11111482 0.80 LMNA (0.52) TSHRSMN1; SMN2HTTLMNAACHE
SCHEMBL28596222 0.79 SMN1; SMN2 (0.55) SMN1; SMN2HTTLMNAALDH1A1KIF11
SCHEMBL6320425 0.77 ALDH1A1 (0.58) TSHRMAPK1ALDH1A1KCNH2KDM4E

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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 CALM1 3132/4885CAMKK2 4260/4885TSHR 3883/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 CALM1 2570/4885CAMKK2 4157/4885TSHR 3757/4885

“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.