SCHEMBL16705207

SCHEMBL16705207

Cc1ccc(-c2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.71
HDAC6 Q9UBN7 3/20 0.71
HDAC3 O15379 2/20 0.71
HDAC11 Q96DB2 2/20 0.71
DEGS1 O15121 1/20 0.71
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
P2RY14 Q15391 1/20 0.58
NAMPT P43490 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
HDAC1 Q13547 1/20 0.54
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
MCL1 Q07820 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL15214829 1.00 HDAC8 (0.71) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL16022191 0.96 HDAC8 (0.76) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL16021444 0.88 HDAC3 (0.62) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL16704905 0.88 HDAC3 (0.62) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL15214807 0.87 HDAC8 (0.64) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL15214833 0.86 HDAC8 (0.62) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL16021428 0.83 HDAC3 (0.67) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL20284041 0.83 DEGS1 (1.00) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL15214804 0.83 HDAC8 (0.69) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL14082413 0.82 HDAC3 (0.58) HDAC8HDAC6HDAC3HDAC11DEGS1

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 9 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-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

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.