SCHEMBL16632556

SCHEMBL16632556

N#Cc1cc2c(Oc3ccc(Cl)cc3O)cccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.46
SLC6A3 Q01959 3/20 0.46
MAPT P10636 2/20 0.46
SLC6A2 P23975 2/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
PGR P06401 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
HSPA5 P11021 1/20 0.46
HPGD P15428 1/20 0.46
CBR1 P16152 1/20 0.46
TBXA2R P21731 1/20 0.46
AGTR1 P30556 1/20 0.46
CYP2A6 P11509 1/20 0.37
RHEB Q15382 2/20 0.35
AHR P35869 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 2/20 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
SCHEMBL16632742 0.86 CYP2A6 (0.38) SLC6A3MAPTSLC6A2CYP2A6
SCHEMBL16632479 0.85 CYP2A6 (0.45) MAPTHPGDCYP2A6MEN1KMT2A
SCHEMBL16632723 0.84 SLC6A4 (0.49) TTRSLC6A3MAPTSLC6A2LMNA
SCHEMBL16632654 0.81 TTR (0.49) TTRSLC6A3MAPTSLC6A2NR1I2
SCHEMBL16632567 0.79 CYP2A6 (0.38) TTRSLC6A3MAPTSLC6A2NR1I2
SCHEMBL3484201 0.78 AR (0.39) SLC6A3MAPTSLC6A2HPGDCYP2A6
SCHEMBL16632437 0.75 TTR (0.51) TTRSLC6A3MAPTSLC6A2NR1I2
SCHEMBL16632984 0.75 CYP2A6 (0.45) MAPTLMNAHPGDCYP2A6MEN1
SCHEMBL16632470 0.73 TTR (0.47) TTRSLC6A3MAPTSLC6A2NR1I2
SCHEMBL29574172 0.73 TTR (0.56) TTRSLC6A3MAPTSLC6A2NR1I2

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-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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 (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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR TTR 4120/4885SLC6A3 3639/4885MAPT 1046/4885

“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.