SCHEMBL16631587

SCHEMBL16631587

CCCCOc1ccc(I)c(F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
MCHR1 Q99705 1/20 0.36
TLR8 Q9NR97 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP19A1 P11511 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL16809050 0.81 NPC1 (0.39) CYP1A2CYP2C9CYP2C19MCHR1TLR8
SCHEMBL22150088 0.81 KDM4E (0.38) RAB9AMAPK1HPGD
SCHEMBL9747281 0.76 MCHR1 (0.51) CYP1A2CYP2C9CYP2C19MCHR1TLR8
SCHEMBL22595335 0.74 L3MBTL1 (0.41) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2461286 0.74 POLB (0.36) CYP1A2KMT2AALDH1A1POLBL3MBTL1
SCHEMBL8504537 0.72 SOAT1 (0.46) MCHR1TLR8CYP2D6CYP3A4ALDH1A1
SCHEMBL28427120 0.71 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19MCHR1TLR8
SCHEMBL2520179 0.71 LTA4H (0.50) CYP1A2CYP2C9CYP2C19MCHR1TLR8
SCHEMBL8507496 0.71 NR5A1 (0.46) CYP1A2CYP2C9CYP2C19RAB9AMAPT
SCHEMBL8716526 0.71 TLR8 (0.40) MCHR1TLR8MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170175129-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS INC (US) 2017-06-22 US disclosed
US-20170136131-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF Modema Therapeutics, Inc. (US) 2017-05-18 US disclosed
US-20170136132-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2017-05-18 US disclosed
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
EP-3053585-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF Moderna Therapeutics, Inc. (US) 2016-08-10 EP disclosed
EP-2918275-B1 Alternative nucleic acid molecules and uses thereof MODERNA THERAPEUTICS INC (US) 2016-05-18 EP disclosed
WO-2015196130-A2 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2015-12-23 WO disclosed
WO-2015196118-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2015-12-23 WO disclosed
EP-2918275-A1 Alternative nucleic acid molecules and uses thereof Roy, Atanu (US) 2015-09-16 EP disclosed
US-20150167017-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. 2015-06-18 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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 (4 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 CYP1A2 4879/4885CYP2C9 4799/4885CYP2C19 4850/4885
US-20170136132-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, RNGTT, NSUN3 CYP1A2 4827/4885CYP2C9 4654/4885CYP2C19 4750/4885
US-20170175129-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, RNGTT, NSUN3 CYP1A2 4827/4885CYP2C9 4654/4885CYP2C19 4750/4885
US-20170136131-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, RNGTT, NSUN3 CYP1A2 4827/4885CYP2C9 4654/4885CYP2C19 4750/4885

“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.