SCHEMBL16632528

SCHEMBL16632528

Cc1cc2c(Oc3ccccc3OCCn3ccc(=O)[nH]c3=O)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
DUT P33316 8/20 0.39
HTR1A P08908 2/20 0.38
SLC6A2 P23975 2/20 0.38
ABCB11 O95342 1/20 0.38
ADRA2A P08913 1/20 0.38
PTGS1 P23219 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
ADRB3 P13945 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2C P18825 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
SCHEMBL16632436 0.85 HTR1A (0.42) L3MBTL1DUTHTR1ACYP1A2ADRB2
SCHEMBL16632665 0.83 L3MBTL1 (0.43) L3MBTL1DUTMAPTCRBNKDM4E
SCHEMBL16632490 0.83 L3MBTL1 (0.44) L3MBTL1DUTHTR1ADRD3MAPT
SCHEMBL16632625 0.82 L3MBTL1 (0.42) L3MBTL1DUTMEN1KMT2A
SCHEMBL16632594 0.82 L3MBTL1 (0.48) L3MBTL1DUTMAPTMEN1KMT2A
SCHEMBL16644667 0.79 L3MBTL1 (0.41) L3MBTL1DUTCRBN
SCHEMBL16632486 0.78 L3MBTL1 (0.53) L3MBTL1DUTCYP1A2
SCHEMBL16632489 0.77 L3MBTL1 (0.38) L3MBTL1DUTHTR1ACYP1A2ADRB2
SCHEMBL16632917 0.76 L3MBTL1 (0.42) L3MBTL1DUTGAACRBNKMT2A
SCHEMBL16632604 0.76 L3MBTL1 (0.42) L3MBTL1DUTMAPT

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 L3MBTL1 879/4885DUT 19/4885HTR1A 4289/4885

“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.