SCHEMBL16632475

SCHEMBL16632475

Oc1ccccc1Oc1cc(Cl)cc2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
PGR P06401 1/20 0.45
HSP90AA1 P07900 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
MAPT P10636 1/20 0.45
HSPA5 P11021 1/20 0.45
HPGD P15428 1/20 0.45
CBR1 P16152 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
AGTR1 P30556 1/20 0.45
SLC6A3 Q01959 1/20 0.45
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
RHEB Q15382 4/20 0.40
STK39 Q9UEW8 1/20 0.40
CYP2A6 P11509 1/20 0.37

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
SCHEMBL16632629 0.87 TTR (0.45) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL16632596 0.84 AR (0.43) SLC6A3POLBGAAKMT2ARHEB
SCHEMBL16632406 0.81 SLC6A2 (0.50) TTRSLC6A2SLC6A3KMT2ARHEB
SCHEMBL240470 0.76 TTR (0.76) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL16632982 0.76 TTR (0.48) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL2855174 0.75 TTR (0.49) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL11089695 0.73 CCR2 (0.50) TTRHPGDPOLBGAASTK39
SCHEMBL7461560 0.73 LMNA (0.51) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL11663615 0.72 CA1 (0.43) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL29446988 0.72 CA2 (0.62) LMNAMAPTHPGDPOLBGAA

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 4120/4885NR1I2 3463/4885LMNA 3719/4885

“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.