SCHEMBL1132828

SCHEMBL1132828

Cc1c(O)cccc1C(C)NCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TRPA1 O75762 1/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 2/20 0.37
GABRA1 P14867 3/20 0.36
GABRB2 P47870 2/20 0.36
CYP3A4 P08684 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
SLC6A2 P23975 2/20 0.33
HTR2B P41595 2/20 0.33
ADRA2A P08913 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
HPGD P15428 2/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GABRB1 P18505 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL335140 0.85 POLB (0.60) POLBTSHRGABRA1GABRB2CYP3A4
SCHEMBL334869 0.80 POLB (0.38) POLBTSHRGABRA1GABRB2CYP3A4
SCHEMBL18575556 0.79 SLC6A2 (0.42) POLBTSHRCYP3A4LMNACYP1A2
SCHEMBL335275 0.71 ADRB2 (0.47) POLBCYP3A4LMNACYP1A2SLC6A2
SCHEMBL30345312 0.70 GABRA1 (0.62) POLBTRPA1ATMTSHRGABRA1
SCHEMBL28091847 0.70 GABRA1 (0.62) POLBTRPA1ATMTSHRGABRA1
SCHEMBL36322 0.70 GABRA1 (0.62) POLBTRPA1ATMTSHRGABRA1
SCHEMBL335035 0.70 CA1 (0.53) LMNAHPGDCA1CA2HTR2C
Hydrochloric Acid SCHEMBL4705491 0.70 ADRB2 (0.46) CYP3A4LMNACYP1A2SLC6A2HTR2B
SCHEMBL4135919 0.69 POLB (0.62) POLBTSHRGABRA1GABRB2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299035-B2 10a-azalide compound having 4-membered ring structure TAISHO PHARMACEUTUCAL CO., LTD. (JP) 2012-10-30 US disclosed
US-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US disclosed
EP-2287173-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE Taisho Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP 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-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE ELOVL3, ELOVL5, SCD5 POLB 4174/4885TRPA1 2185/4885ATM 4860/4885

“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.