SCHEMBL15329129

SCHEMBL15329129

Cc1ccccc1OCc1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
NISCH Q9Y2I1 1/20 0.37

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
SCHEMBL15328983 0.82 RXRA (0.41) RXRARXRBRXRGCXCR2SGMS2
SCHEMBL15328636 0.81 DGAT1 (0.45) SMN1; SMN2MAPK1TDP1NPC1RAB9A
SCHEMBL19141123 0.80 DGAT1 (0.43) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL3922689 0.79 LPL (0.40) TSHRALDH1A1CXCR2
SCHEMBL3521430 0.78 CDK4 (0.60) CDK4CCND1SMN1; SMN2MAPTTSHR
Bromide SCHEMBL27650271 0.76 CDK4 (0.58) CDK4CCND1SMN1; SMN2MAPTTSHR
SCHEMBL30296064 0.76 LPL (0.38) CXCR2
SCHEMBL22138645 0.76 CDK4 (0.53) CDK4CCND1SMN1; SMN2MAPTTSHR
SCHEMBL24309534 0.75 LPL (0.37) CXCR2
SCHEMBL9946168 0.75 MAPT (0.49) CDK4CCND1MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838881-B1 ISOINDOLONE DERIVATIVES ABBVIE INC (US) 2018-08-08 EP disclosed
US-9776990-B2 Isoindolone derivatives ABBVIE INC. (US) 2017-10-03 US disclosed
US-20150111890-A1 ISOINDOLONE DERIVATIVES ABBVIE INC. 2015-04-23 US disclosed
EP-2850071-A1 ISOINDOLONE DERIVATIVES AbbVie Inc. (US) 2015-03-25 EP disclosed
WO-2013158952-A1 ISOINDOLONE DERIVATIVES ABBVIE INC. (US) 2013-10-24 WO disclosed
US-20130281450-A1 ISOINDOLONE DERIVATIVES ABBVIE INC. 2013-10-24 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-20150111890-A1 ISOINDOLONE DERIVATIVES CYP11B1, HSD17B7, CYP4A11 CDK4 803/4885CCND1 483/4885SMN1; SMN2 4693/4885
US-20130281450-A1 ISOINDOLONE DERIVATIVES CYP11B1, HSD17B7, CYP4A11 CDK4 849/4885CCND1 472/4885SMN1; SMN2 4693/4885

“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.