SCHEMBL16632614

SCHEMBL16632614

COc1cc(Cl)ccc1Oc1cccc2oc(C)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.50
SLC6A2 P23975 8/20 0.50
SLC6A3 Q01959 6/20 0.50
KCNH2 Q12809 1/20 0.50
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TTR P02766 2/20 0.41
MAOA P21397 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 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
SCHEMBL16632654 0.84 TTR (0.49) SLC6A4SLC6A2SLC6A3TTRALDH1A1
SCHEMBL16632723 0.82 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KCNH2CA1
SCHEMBL9296788 0.81 CYP2A6 (0.56) CA1CA2MEN1KMT2AMAOA
SCHEMBL16632750 0.80 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KCNH2CA1
SCHEMBL22355544 0.71 AHR (0.54) CA1CA2MEN1KMT2AMAOA
SCHEMBL16527401 0.70 MAOA (0.70) CA1CA2MEN1KMT2AMAOA
SCHEMBL676629 0.69 TTR (0.73) SLC6A4SLC6A2SLC6A3KCNH2TTR
SCHEMBL3154096 0.69 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNH2MEN1
SCHEMBL16632584 0.69 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KCNH2MEN1
SCHEMBL16632535 0.68 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3KCNH2CA1

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 SLC6A4 4266/4885SLC6A2 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.