SCHEMBL8302859

SCHEMBL8302859

CC(=O)COc1ccc(C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 5/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 2/20 0.55
FKBP1A P62942 1/20 0.55
NPC1 O15118 3/20 0.54
TSHR P16473 1/20 0.53
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RECQL P46063 1/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
UBE2N P61088 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
OXTR P30559 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL2955123 0.85 HPGD (0.50) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL801233 0.85 ALDH1A1 (0.72) RAB9AALDH1A1MAPTKMT2AFKBP1A
SCHEMBL1326182 0.83 RAB9A (0.58) RAB9AALDH1A1MAPTKMT2AFKBP1A
SCHEMBL10165860 0.83 RAB9A (0.58) RAB9AALDH1A1MAPTKMT2AFKBP1A
SCHEMBL11011113 0.83 RAB9A (0.58) RAB9AALDH1A1MAPTKMT2AFKBP1A
SCHEMBL3913249 0.83 RAB9A (0.58) RAB9AALDH1A1MAPTKMT2AFKBP1A
SCHEMBL6717854 0.83 RAB9A (0.58) RAB9AALDH1A1MAPTKMT2AFKBP1A
SCHEMBL3913256 0.82 RAB9A (0.54) RAB9AALDH1A1MAPTKMT2AFKBP1A
SCHEMBL23791532 0.81 RAB9A (0.56) RAB9AALDH1A1MAPTKMT2AFKBP1A
Formaldehyde SCHEMBL28601398 0.81 ALDH1A1 (0.68) RAB9AALDH1A1MAPTKMT2AFKBP1A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11230565-B2 Synthesis of backbone modified morpholino oligonucleotides and chimeras using phosphoramidite chemistry THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2022-01-25 US disclosed
WO-2018057430-A1 SYNTHESIS OF BACKBONE MODIFIED MORPHOLINO OLIGONUCLEOTIDES AND CHIMERAS USING PHOSPHORAMIDITE CHEMISTRY THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-03-29 WO disclosed
WO-2017198775-A1 STEREOSELECTIVE SYNTHESIS OF PHOSPHOROTHIOATE OLIGORIBONUCLEOTIDES ETH ZURICH (CH) 2017-11-23 WO disclosed
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-09-21 US disclosed
US-8716344-B2 Class- and isoform-specific HDAC inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-05-06 US disclosed
US-8629141-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-01-14 US disclosed
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUE, INC. (US) 2012-08-16 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO 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 (5 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 RAB9A 1586/4885ALDH1A1 1098/4885MAPT 1800/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 RAB9A 1586/4885ALDH1A1 1098/4885MAPT 1800/4885
US-11230565-B2 Synthesis of backbone modified morpholino oligonucleotides and chimeras using phosphoramidite chemistry RNASEH1, RNASE1, PMM2 RAB9A 4314/4885ALDH1A1 4192/4885MAPT 3445/4885
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 RAB9A 4104/4885ALDH1A1 313/4885MAPT 3262/4885
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 RAB9A 4104/4885ALDH1A1 313/4885MAPT 3262/4885

“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.