SCHEMBL15214835

SCHEMBL15214835

Cc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
DEGS1 O15121 1/20 0.58
ADCY8 P40145 1/20 0.57
ADCY1 Q08828 1/20 0.57
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
NAMPT P43490 1/20 0.50
MCHR1 Q99705 6/20 0.48
XBP1 P17861 1/20 0.48

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
SCHEMBL16744189 0.90 HDAC3 (0.51) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL15214804 0.84 HDAC8 (0.69) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL21117275 0.83 MAPT (0.49) HDAC3HDAC11HDAC8HDAC6ADCY8
SCHEMBL9973057 0.82 MAPT (0.44) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL15214833 0.82 HDAC8 (0.62) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL29561404 0.81 NPC1 (0.75) MAPTNPSR1MEN1NPC1HTT
SCHEMBL8771632 0.81 MAPT (0.47) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL24696813 0.79 RAB9A (0.60) HDAC8HDAC6MAPTNPSR1MEN1
SCHEMBL15214807 0.79 HDAC8 (0.64) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL16022191 0.79 HDAC8 (0.76) HDAC3HDAC11HDAC8HDAC6DEGS1

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-9630902-B2 Method of preparing fused ring indeno compounds TRANSITIONS OPTICAL, INC. (US) 2017-04-25 US disclosed
WO-2016144324-A1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2016-09-15 WO 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
WO-2015077264-A1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2015-05-28 WO 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-20150141662-A1 Method Of Preparing Fused Ring Indeno 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 HDAC3 449/4885HDAC11 530/4885HDAC8 614/4885
US-20150141663-A1 Fused Ring Indeno Compounds For Preparation Of Photochromic Compounds IPO5, INCENP, NQO1 HDAC3 1086/4885HDAC11 847/4885HDAC8 1417/4885
US-20160060205-A1 Method Of Preparing Fused Ring Indeno Compounds INHA, INTS9, CA9 HDAC3 449/4885HDAC11 530/4885HDAC8 614/4885
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds INF2, INCENP, RB1 HDAC3 327/4885HDAC11 260/4885HDAC8 976/4885

“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.