SCHEMBL15214833

SCHEMBL15214833

Cc1ccc(NC(=O)c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)cc1C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
HDAC3 O15379 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
DEGS1 O15121 1/20 0.62
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 1/20 0.56
NAMPT P43490 1/20 0.53
KDM4E B2RXH2 1/20 0.51
XBP1 P17861 1/20 0.51
MCHR1 Q99705 2/20 0.51
P2RY14 Q15391 1/20 0.50
FKBP5 Q13451 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL15214804 0.95 HDAC8 (0.69) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL15214807 0.94 HDAC8 (0.64) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL13536568 0.90 RAB9A (0.64) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL16744175 0.89 NPC1 (0.54) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL16705207 0.86 HDAC8 (0.71) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL15214829 0.86 HDAC8 (0.71) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL17656088 0.83 HDAC3 (0.56) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL15214835 0.82 HDAC3 (0.58) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL16022191 0.81 HDAC8 (0.76) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL12125151 0.81 ALDH1A1 (0.51) HDAC8HDAC6HDAC3HDAC11NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630902-B2 Method of preparing fused ring indeno compounds TRANSITIONS OPTICAL, INC. (US) 2017-04-25 US disclosed
US-20160209561-A1 Photochromic Articles That Include Photochromic-Dichroic Materials TRANSITIONS OPTICAL, INC. 2016-07-21 US disclosed
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
US-9334439-B2 Photochromic articles that include photochromic-dichroic materials TRANSITIONS OPTICAL, INC. (US) 2016-05-10 US disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 EP disclosed
US-20160060205-A1 Method Of Preparing Fused Ring Indeno Compounds TRANSITIONS OPTICAL, INC. 2016-03-03 US disclosed
US-9206151-B2 Method of preparing fused ring indeno compounds TRANSITIONS OPTICAL, INC. (US) 2015-12-08 US disclosed
US-9051332-B1 Photochromic indeno-fused ring pyran compounds TRANSITIONS OPTICAL, INC. (US) 2015-06-09 US disclosed
WO-2015077141-A1 FUSED RING INDENO COMPOUNDS FOR PREPARATION OF PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2015-05-28 WO disclosed
US-20150141662-A1 Method Of Preparing Fused Ring Indeno Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 US disclosed
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 US disclosed
US-20150141663-A1 Fused Ring Indeno Compounds For Preparation Of Photochromic Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 US disclosed
US-9029565-B1 Fused ring indeno compounds for preparation of photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
US-20140272468-A1 PHOTOCHROMIC ARTICLES THAT INCLUDE PHOTOCHROMIC-DICHROIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2014-09-18 US disclosed
US-8582192-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-11-12 US disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US 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-20150141662-A1 Method Of Preparing Fused Ring Indeno Compounds INHA, INTS9, CA9 HDAC8 614/4885HDAC6 525/4885HDAC3 449/4885
US-20150141663-A1 Fused Ring Indeno Compounds For Preparation Of Photochromic Compounds IPO5, INCENP, NQO1 HDAC8 1417/4885HDAC6 1722/4885HDAC3 1086/4885
US-20160060205-A1 Method Of Preparing Fused Ring Indeno Compounds INHA, INTS9, CA9 HDAC8 614/4885HDAC6 525/4885HDAC3 449/4885
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds INF2, INCENP, RB1 HDAC8 976/4885HDAC6 2073/4885HDAC3 327/4885

“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.