SCHEMBL6486940

SCHEMBL6486940

CC(C)(C)OC(=O)N1C(Cc2ccc(Oc3ccc(Cl)cc3)cc2)COC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
S1PR5 Q9H228 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
GHSR Q92847 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
STS P08842 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B2 P80365 1/20 0.35
GAA P10253 1/20 0.35
VEGFA P15692 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM1A O60341 1/20 0.35
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
ADAM17 P78536 2/20 0.34

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
SCHEMBL6486930 1.00 BRD4 (0.46) BRD4S1PR5SPHK1GHSRHTT
SCHEMBL6487557 0.91 SPHK1 (0.39) BRD4SPHK1GHSRSMN1; SMN2HSD11B2
SCHEMBL2291830 0.91 SMN1; SMN2 (0.40) BRD4SPHK1GHSRSMN1; SMN2NPSR1
SCHEMBL6487562 0.91 SPHK1 (0.39) BRD4SPHK1GHSRSMN1; SMN2HSD11B2
SCHEMBL2288435 0.91 SPHK1 (0.39) BRD4SPHK1GHSRSMN1; SMN2HSD11B2
SCHEMBL2295708 0.88 NR1H2 (0.39) BRD4SPHK1SMN1; SMN2KMT2AALDH1A1
SCHEMBL2295715 0.88 NR1H2 (0.39) BRD4SPHK1SMN1; SMN2KMT2AALDH1A1
SCHEMBL2290598 0.85 SPHK1 (0.43) BRD4SPHK1HSD11B2KDM1AGPR119
SCHEMBL2290590 0.85 SPHK1 (0.43) BRD4SPHK1HSD11B2KDM1AGPR119
SCHEMBL6489308 0.84 HSD17B10 (0.41) BRD4SMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US disclosed
EP-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO 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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 BRD4 483/4885S1PR5 1219/4885SPHK1 874/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 BRD4 294/4885S1PR5 1160/4885SPHK1 1034/4885

“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.