SCHEMBL440368

SCHEMBL440368

O=CCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNN4 O15554 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP1A2 P05177 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL364699 0.82 GAA (0.36) KIF11ALDH1A1TSHRKMT2ATDP1
SCHEMBL6991557 0.81 CYP2C9 (0.44) ALDH1A1TSHRHTTMEN1LMNA
SCHEMBL6544164 0.80 ALDH1A1 (0.41) ALDH1A1TSHRHTTMEN1LMNA
SCHEMBL27565434 0.78 ALDH1A1 (0.46) KIF11ALDH1A1TSHRHTTMEN1
SCHEMBL11638632 0.78 ALDH1A1 (0.40) KIF11ALDH1A1TSHRHTTLMNA
SCHEMBL7074475 0.76 ALDH1A1 (0.38) ALDH1A1TSHRHTTMEN1LMNA
SCHEMBL8009556 0.76 ALDH1A1 (0.42) ALDH1A1TSHRHTTMEN1LMNA
SCHEMBL11034545 0.76 KIF11 (0.48) KIF11CYP2C19CYP11B1CYP11B2
SCHEMBL10722640 0.76 ALDH1A1 (0.38) KIF11ALDH1A1TSHRHTTMEN1
SCHEMBL9340359 0.76 CYP2C19 (0.42) ALDH1A1TSHRHTTMEN1LMNA

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 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779128-B2 Oligonucleotide analogues having modified intersubunit linkages and/or terminal groups SAREPTA THERAPEUTICS, INC. (US) 2014-07-15 US claimed
EP-2576574-A2 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS Sarepta Therapeutics, Inc. (US) 2013-04-10 EP claimed
US-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2012-03-15 US claimed
WO-2011150408-A2 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS AVI BIOPHARMA, INC. (US) 2011-12-01 WO claimed
US-6388081-B1 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries LION BIOSCIENCE AG (DE) 2002-05-14 US claimed
US-6262269-B1 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries TREGA BIOSCIENCES, INC. 2001-07-17 US claimed
US-6143895-A TETRAHYDROQUINOLINONE COMPOUND TREGA BIOSCIENCES, INC. (US) 2000-11-07 US claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 EP claimed
US-5047397-A Natriuretics, diuretics, vasodilators CALIFORNIA BIOTECHNOLOGY INC. (US) 1991-09-10 US claimed
EP-0410989-A4 CYCLIC ANALOGS OF ATRIAL NATRIURETIC PEPTIDES 1991-06-05 EP claimed
EP-0410989-A1 CYCLIC ANALOGS OF ATRIAL NATRIURETIC PEPTIDES CALIFORNIA BIOTECHNOLOGY, INC. (US) 1991-02-06 EP claimed
US-4935492-A Cyclic analogs of atrial natriuretic peptides CALIFORNIA BIOTECHNOLOGY INC. (US) 1990-06-19 US claimed
WO-1989009611-A1 CYCLIC ANALOGS OF ATRIAL NATRIURETIC PEPTIDES CALIFORNIA BIOTECHNOLOGY INC. (US) 1989-10-19 WO claimed
EP-0323740-A2 Linear analogs of atrial natriuretic peptides CALIFORNIA BIOTECHNOLOGY, INC. (US) 1989-07-12 EP claimed
WO-1989005654-A1 LINEAR ANALOGS OF ATRIAL NATRIURETIC PEPTIDES CALIFORNIA BIOTECHNOLOGY INC. (US) 1989-06-29 WO claimed
US-4804650-A DIURETICS, VASODILATORS BIOTECHNOLOGY RESEARCH ASSOCIATES, J.V. (US) 1989-02-14 US claimed
EP-0223143-A2 Analogs of atrial natriuretic peptides CALIFORNIA BIOTECHNOLOGY, INC. (US) 1987-05-27 EP claimed
WO-1987002674-A1 ANALOGS OF ATRIAL NATRIURETIC PEPTIDES BIOTECHNOLOGY RESEARCH ASSOCIATES, J.V. (US) 1987-05-07 WO claimed

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-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS NSUN2, UPF1, RTCB KIF11 2391/4885ALDH1A1 2803/4885TSHR 2993/4885

“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.