SCHEMBL16632544

SCHEMBL16632544

COc1ccccc1Oc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
ALDH1A1 P00352 5/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
HTT P42858 3/20 0.54
MAPK1 P28482 2/20 0.54
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NQO1 P15559 1/20 0.47
SLC6A4 P31645 1/20 0.45
BRAF P15056 1/20 0.45
HTR1B P28222 3/20 0.44

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
1,2-Dimethoxybenzene SCHEMBL20581614 0.89 CA12 (0.62) CA12CA1CA2CA4CA7
SCHEMBL7457103 0.89 HTR1B (0.52) ALDH1A1L3MBTL1MAPK1MAPTMEN1
SCHEMBL151449 0.87 MAPT (0.61) CA12CA1CA2CA4CA7
SCHEMBL30373629 0.87 MAPT (0.61) CA12CA1CA2CA4CA7
SCHEMBL29367279 0.87 MAPT (0.61) CA12CA1CA2CA4CA7
Ethane SCHEMBL10636467 0.87 HTR1B (0.50) ALDH1A1L3MBTL1MAPK1MAPTSLC6A4
SCHEMBL29577853 0.87 HTR1B (0.54) ALDH1A1L3MBTL1MAPK1MAPTMEN1
SCHEMBL442767 0.87 HTR1B (0.54) ALDH1A1L3MBTL1MAPK1MAPTMEN1
Ammonia Solution, Strong SCHEMBL229215 0.85 MAPT (0.59) CA12CA1CA2CA4CA7
SCHEMBL28602414 0.85 MAPT (0.59) CA12CA1CA2CA4CA7

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 CA12 3973/4885CA1 4637/4885CA2 2940/4885

“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.