SCHEMBL8771773

SCHEMBL8771773

CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(C)cc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
HDAC3 O15379 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
CYP2C9 P11712 1/20 0.50
DEGS1 O15121 1/20 0.49
P2RY14 Q15391 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL8771797 0.97 MAPT (0.54) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL16775458 0.97 MAPT (0.54) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL8771609 0.97 MAPT (0.54) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL20805873 0.93 MAPT (0.55) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL1964450 0.91 ALDH1A1 (0.57) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL1964453 0.91 ALDH1A1 (0.57) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL12125158 0.89 ALDH1A1 (0.53) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL12125152 0.88 ALDH1A1 (0.54) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL14207675 0.88 LMNA (0.54) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL6113736 0.87 ALDH1A1 (0.56) MAPTALDH1A1LMNAHDAC3HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970326-B1 SUBSTITUTED 5,6-RING-FUSED NAPHTHOPYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2017-11-29 EP disclosed
US-9309455-B2 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2016-04-12 US disclosed
US-9309455-B2 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2016-04-12 US disclosed
US-20140166948-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL LIMITED (IE) 2014-06-19 US disclosed
US-20140166948-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL LIMITED (IE) 2014-06-19 US disclosed
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2012-05-24 US disclosed
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2012-05-24 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 (1 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-20120126185-A1 INDENO-FUSED RING COMPOUNDS CRY2, SQOR, INTS6 MAPT 2624/4885ALDH1A1 498/4885LMNA 1680/4885

“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.