SCHEMBL1964453

SCHEMBL1964453

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 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
CYP2C9 P11712 1/20 0.50
DEGS1 O15121 1/20 0.49
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
KDM1B Q8NB78 2/20 0.45
RCOR1 Q9UKL0 2/20 0.45
DGAT1 O75907 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL1964450 1.00 ALDH1A1 (0.57) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL8771773 0.91 MAPT (0.57) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL220859 0.89 CYP2C9 (0.61) ALDH1A1LMNAMAPTCYP2C9
SCHEMBL220860 0.89 CYP2C9 (0.61) ALDH1A1LMNAMAPTCYP2C9
SCHEMBL8771609 0.88 MAPT (0.54) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL16775458 0.88 MAPT (0.54) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL14207675 0.88 LMNA (0.54) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL8771797 0.88 MAPT (0.54) ALDH1A1LMNAMAPTHDAC3HDAC11
Hydrochloric Acid SCHEMBL8556829 0.88 CYP2C9 (0.59) ALDH1A1LMNAMAPTCYP2C9
SCHEMBL2976664 0.88 CYP2C9 (0.59) ALDH1A1LMNAMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 EP disclosed
EP-2652553-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20110143141-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-16 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-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 ALDH1A1 43/4885LMNA 230/4885MAPT 785/4885

“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.