SCHEMBL9973041

SCHEMBL9973041

CCCC(C)C1CCC(c2ccc(C(=O)Oc3ccc(-c4ccc(C(=O)OC)cc4)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 4/20 0.41
IDO1 P14902 1/20 0.39
MGLL Q99685 1/20 0.39
ACR P10323 3/20 0.39
HGFAC Q04756 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PRSS1 P07477 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL9973034 1.00 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1IDO1MGLL
SCHEMBL9973022 1.00 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1IDO1MGLL
SCHEMBL9973040 0.93 SLC6A2 (0.43) MAPTSMN1; SMN2ALDH1A1IDO1SLC6A2
SCHEMBL9973064 0.88 ALDH1A1 (0.41) MAPTSMN1; SMN2ALDH1A1IDO1ACR
SCHEMBL9973054 0.88 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1IDO1ACR
SCHEMBL9973051 0.83 KMT2A (0.38) SMN1; SMN2IDO1GRIA1GRIA2GRIA3
SCHEMBL9973052 0.82 ELANE (0.40) MAPTSMN1; SMN2ALDH1A1MGLLSLC6A2
SCHEMBL18078978 0.81 ACR (0.46) MAPTSMN1; SMN2ALDH1A1ACRHGFAC
SCHEMBL12125148 0.80 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1MGLLACR
SCHEMBL12125150 0.80 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1MGLLACR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20110279883-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2011-11-17 US 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 MAPT 785/4885SMN1; SMN2 3964/4885ALDH1A1 43/4885

“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.