SCHEMBL1332844

SCHEMBL1332844

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)Nc4cc[c]cc4)cc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HDAC3 O15379 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CYP2C9 P11712 1/20 0.46
DGAT1 O75907 3/20 0.44
DEGS1 O15121 1/20 0.43
KDM1A O60341 2/20 0.42
P2RY14 Q15391 1/20 0.40
MAOA P21397 1/20 0.40
KDM1B Q8NB78 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1331865 1.00 ALDH1A1 (0.53) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL6113736 0.97 ALDH1A1 (0.56) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL8771797 0.88 MAPT (0.54) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL8771609 0.88 MAPT (0.54) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL16775458 0.88 MAPT (0.54) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL1333625 0.85 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL1333623 0.85 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL20805873 0.85 MAPT (0.55) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL12125154 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL8771773 0.84 MAPT (0.57) ALDH1A1LMNAMAPTHDAC3HDAC11

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268375-B1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS TRANSITIONS OPTICAL INC (US) 2022-06-15 EP claimed
EP-3071576-B9 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-12-22 EP claimed
EP-3071576-B1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-08-18 EP claimed
EP-2970760-B1 PHOTOCHROMIC ARTICLES THAT INCLUDE PHOTOCHROMIC-DICHROIC MATERIALS TRANSITIONS OPTICAL INC (US) 2019-06-26 EP claimed
US-10145996-B2 Photochromic articles that include photochromic-dichroic materials TRANSITIONS OPTICAL, INC. (US) 2018-12-04 US claimed
EP-3268375-A1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS Transitions Optical, Inc. (US) 2018-01-17 EP claimed
EP-3071576-A1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS Transitions Optical, Inc. (US) 2016-09-28 EP claimed
EP-3071551-A1 FUSED RING INDENO COMPOUNDS FOR PREPARATION OF PHOTOCHROMIC COMPOUNDS Transitions Optical, Inc. (US) 2016-09-28 EP claimed
WO-2016144324-A1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2016-09-15 WO claimed
US-20160209561-A1 Photochromic Articles That Include Photochromic-Dichroic Materials TRANSITIONS OPTICAL, INC. 2016-07-21 US claimed
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 EP claimed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP claimed
US-9051332-B1 Photochromic indeno-fused ring pyran compounds TRANSITIONS OPTICAL, INC. (US) 2015-06-09 US claimed
WO-2015077141-A1 FUSED RING INDENO COMPOUNDS FOR PREPARATION OF PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2015-05-28 WO claimed
WO-2015077264-A1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2015-05-28 WO claimed
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 US claimed
US-9029565-B1 Fused ring indeno compounds for preparation of photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US claimed
US-20140272468-A1 PHOTOCHROMIC ARTICLES THAT INCLUDE PHOTOCHROMIC-DICHROIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2014-09-18 US claimed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US claimed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX ALDH1A1 1243/4885LMNA 657/4885MAPT 573/4885
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds INF2, INCENP, RB1 ALDH1A1 654/4885LMNA 263/4885MAPT 2708/4885

“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.