SCHEMBL6876868

SCHEMBL6876868

COc1ccc(C)c(C)c1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.44
KMT2A Q03164 1/20 0.42
PDE4B Q07343 10/20 0.41
PDE4D Q08499 8/20 0.41
PDE4C Q08493 7/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL12794454 0.83 ALDH1A1 (0.43) PDE4AKMT2APDE4BPDE4DPDE4C
SCHEMBL7445561 0.83 KMT2A (0.47) PDE4AKMT2APDE4BPDE4DPDE4C
SCHEMBL6876912 0.81 PDE4D (0.45) PDE4APDE4BPDE4DPDE4C
SCHEMBL27529570 0.80 PDE5A (0.44) PDE4AKMT2APDE4BPDE4DPDE4C
SCHEMBL8748732 0.79 KMT2A (0.52) PDE4AKMT2APDE4BPDE4DPDE4C
Hydrochloric Acid SCHEMBL1134115 0.77 PDE4A (0.45) PDE4AKMT2APDE4BPDE4DPDE4C
SCHEMBL12760663 0.76 ALDH1A1 (0.39) PDE4AKMT2APDE4BPDE4DPDE4C
SCHEMBL4404407 0.75 ALDH1A1 (0.44) KMT2AALDH1A1
SCHEMBL31027936 0.75 ALDH1A1 (0.44) KMT2AALDH1A1
SCHEMBL10793752 0.73 ALDH1A1 (0.43) PDE4AKMT2APDE4BPDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933073-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2015-01-13 US disclosed
US-8865662-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2014-10-21 US disclosed
US-20140142100-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2014-05-22 US disclosed
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 US disclosed
US-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 US disclosed
US-20120277174-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2012-11-01 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 US disclosed
WO-2011018510-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-02-17 WO disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
WO-2009106419-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2009-09-03 WO disclosed
WO-2009098320-A2 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-08-13 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 (4 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-20120277174-A1 NEW MACROLIDES AND THEIR USE PDE4A, PDE4B, PDE12 PDE4A 1/4885KMT2A 2566/4885PDE4B 2/4885
US-20110053876-A1 MACROLIDES AND THEIR USE PDE4A, PDE12, PDE4B PDE4A 1/4885KMT2A 2755/4885PDE4B 3/4885
US-20140142100-A1 NEW MACROLIDES AND THEIR USE PDE4A, PDE4B, PDE12 PDE4A 1/4885KMT2A 2566/4885PDE4B 2/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 PDE4A 1873/4885KMT2A 3272/4885PDE4B 2412/4885

“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.