SCHEMBL3097303

SCHEMBL3097303

COc1ccc(CC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.65
LMNA P02545 2/20 0.65
HTT P42858 2/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
RAB9A P51151 3/20 0.65
MAPT P10636 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
KMT2A Q03164 1/20 0.59
GSK3B P49841 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56

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
SCHEMBL3099733 1.00 NPC1 (0.65) NPC1LMNAHTTL3MBTL1RAB9A
SCHEMBL457954 0.93 NPC1 (0.73) NPC1LMNAHTTRAB9AMAPT
SCHEMBL5218244 0.87 NPC1 (0.81) NPC1LMNAL3MBTL1RAB9AMAPT
SCHEMBL1420182 0.86 NPC1 (0.65) NPC1LMNAHTTRAB9AMAPT
SCHEMBL6225326 0.86 NPC1 (0.65) NPC1LMNAHTTRAB9AMAPT
SCHEMBL12637609 0.86 NPC1 (0.65) NPC1LMNAHTTRAB9AMAPT
SCHEMBL6203838 0.85 KMT2A (0.64) NPC1LMNAHTTRAB9AMAPT
SCHEMBL6201733 0.85 NPC1 (0.63) NPC1LMNAHTTL3MBTL1RAB9A
SCHEMBL14157088 0.85 CA1 (0.70) NPC1LMNAHTTRAB9AMAPT
SCHEMBL3099798 0.85 NPC1 (0.63) NPC1LMNAHTTL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822205-B2 Deoxybenzoin-derived anti-flammable polymers UNIVERSITY OF MASSACHUSETTS (US) 2017-11-21 US disclosed
US-9340635-B2 Deoxybenzoin-derived anti-flammable polymers UNIVERSITY OF MASSACHUSETTS (US) 2016-05-17 US disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-20160009854-A1 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS 2016-01-14 US disclosed
US-20160009841-A1 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS 2016-01-14 US disclosed
US-9175131-B2 Deoxybenzoin-derived anti-flammable polymers UNIVERSITY OF MASSACHUSETTS (US) 2015-11-03 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 US disclosed
US-20140011808-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2014-01-09 US disclosed
US-8466148-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-06-18 US disclosed
US-20130102754-A1 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS (US) 2013-04-25 US disclosed
US-8314202-B2 Deoxybenzoin-derived anti-flammable polymers UNIVERSITY OF MASSACHUSETTS (US) 2012-11-20 US disclosed
US-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. 2012-09-13 US disclosed
US-20110112241-A1 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS 2011-05-12 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP 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-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A NPC1 2422/4885LMNA 3565/4885HTT 313/4885
US-20140011808-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS PDE12, PDE7A, PDE10A NPC1 2422/4885LMNA 3565/4885HTT 313/4885
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS PDE12, PDE7A, PDE10A NPC1 2422/4885LMNA 3565/4885HTT 313/4885
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 NPC1 1768/4885LMNA 3156/4885HTT 736/4885

“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.