SCHEMBL16632654

SCHEMBL16632654

Cc1cc2c(Oc3ccc(Cl)cc3O)cccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A3 Q01959 2/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
PGR P06401 1/20 0.49
HSP90AA1 P07900 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
MAPT P10636 1/20 0.49
HSPA5 P11021 1/20 0.49
HPGD P15428 1/20 0.49
CBR1 P16152 1/20 0.49
TBXA2R P21731 1/20 0.49
AGTR1 P30556 1/20 0.49
CCR1 P32246 1/20 0.40
RHEB Q15382 1/20 0.37
MCL1 Q07820 1/20 0.37
SLC6A4 P31645 1/20 0.36
AHR P35869 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL16632614 0.84 SLC6A4 (0.50) TTRSLC6A2SLC6A3LMNAMAPT
SCHEMBL16632556 0.81 TTR (0.46) TTRSLC6A2SLC6A3NR1I2LMNA
SCHEMBL16632437 0.78 TTR (0.51) TTRSLC6A2SLC6A3NR1I2LMNA
SCHEMBL10540653 0.73 TTR (0.83) TTRSLC6A2SLC6A3NR1I2LMNA
SCHEMBL15242475 0.71 SLC6A2 (0.67) TTRSLC6A2SLC6A3NR1I2LMNA
SCHEMBL19294249 0.71 TTR (0.67) TTRSLC6A2SLC6A3NR1I2LMNA
SCHEMBL9296788 0.71 CYP2A6 (0.56) LMNAMAPTHPGDKDM4EALDH1A1
SCHEMBL10076562 0.71 L3MBTL1 (0.68) TTRSLC6A2SLC6A3NR1I2LMNA
SCHEMBL2268151 0.70 MAOA (0.44) LMNAMAPTHPGDKDM4ECYP1A2
SCHEMBL2136172 0.70 TTR (0.66) TTRSLC6A2SLC6A3NR1I2LMNA

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 4120/4885SLC6A2 3227/4885SLC6A3 3639/4885

“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.