SCHEMBL8136803

SCHEMBL8136803

CCSc1cc(OCc2ccc(OC)cc2)c2ccc(OCCOC)c(Cl)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
CSF1R P07333 5/20 0.35
NTRK1 P04629 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 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
SCHEMBL8139632 0.86 FGFR1 (0.35) KDM1AHTR2CHTR2BALDH1A1MAPT
SCHEMBL8126112 0.82 MAPT (0.36) KDM1ACSF1RNTRK1NTRK3NTRK2
SCHEMBL10220725 0.81 S1PR4 (0.33) HTR2CHTR2BALDH1A1MAPTMEN1
SCHEMBL3371049 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL8130238 0.79 S1PR4 (0.34) KDM1AHTR2CHTR2BALDH1A1MAPT
SCHEMBL312965 0.75 CSF1R (0.43) CSF1RNTRK1NTRK3NTRK2ALDH1A1
SCHEMBL11941840 0.72 CSNK2A1 (0.33) HTR2CHTR2BALDH1A1KDM4EMAPT
SCHEMBL313189 0.69 CSF1R (0.44) CSF1RNTRK1NTRK3NTRK2ALDH1A1
SCHEMBL10271466 0.69 MAPT (0.38) HTR2CHTR2BALDH1A1MAPTHPGD
SCHEMBL8142393 0.69 ADORA1 (0.36) ALDH1A1KDM4EMAPTHPGDLMNA

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
EP-2162431-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2017-06-07 EP disclosed
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20130274439-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2013-10-17 US disclosed
US-8420597-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-04-16 US disclosed
US-20130053577-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-02-28 US disclosed
US-8283442-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-20120190866-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-07-26 US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
WO-2009005676-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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-20130274439-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM1A 3220/4885CSF1R 4645/4885NTRK1 4851/4885
US-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 KDM1A 3214/4885CSF1R 4698/4885NTRK1 4884/4885
US-20130053577-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM1A 3220/4885CSF1R 4645/4885NTRK1 4851/4885
US-20120190866-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM1A 3220/4885CSF1R 4645/4885NTRK1 4851/4885
US-20150080569-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM1A 3220/4885CSF1R 4645/4885NTRK1 4851/4885

“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.