SCHEMBL16632737

SCHEMBL16632737

Cc1cc(O)c(C=C(Br)Br)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
SELE P16581 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.34
PRNP P04156 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOD2 Q9HC29 1/20 0.34
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
APEX1 P27695 1/20 0.31
MPI P34949 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12581708 0.78 CYP3A4 (0.46) SELLSELPSELEACHEALDH1A1
SCHEMBL16632597 0.76 ERN1 (0.40) LMNAHPGDALDH1A1RECQLKMT2A
SCHEMBL28516779 0.72 HPGD (0.44) SELLSELPSELEACHELMNA
SCHEMBL16632534 0.71 MAOB (0.43) LMNAHPGDALDH1A1MAPTKDM4E
SCHEMBL31090217 0.69 ACHE (0.65) SELLSELPSELEACHELMNA
SCHEMBL3915772 0.69 ACHE (0.65) SELLSELPSELEACHELMNA
SCHEMBL11418582 0.69 SELL (0.65) SELLSELPSELEACHELMNA
SCHEMBL20241670 0.66 SELL (0.46) SELLSELPSELEACHELMNA
SCHEMBL21614390 0.66 SELL (0.46) SELLSELPSELEACHELMNA
SCHEMBL17182648 0.65 TRPA1 (0.48) SELLSELPSELEACHELMNA

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 4 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-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
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 SELL 4222/4885SELP 3106/4885SELE 3068/4885

“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.