SCHEMBL9973040

SCHEMBL9973040

CCCC(C)C1CCC(c2ccc(-c3ccc(C(=O)OC)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP2C9 P11712 1/20 0.40
IDO1 P14902 1/20 0.39

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 0.93 MAPT (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL9973022 0.93 MAPT (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL9973041 0.93 MAPT (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL9973056 0.81 HDAC3 (0.52) ALDH1A1MAPTKDM4ELMNANPC1
SCHEMBL9973064 0.80 ALDH1A1 (0.41) SLC6A2SLC6A3ALDH1A1MAPTLMNA
SCHEMBL9973054 0.80 MAPT (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL9973051 0.80 KMT2A (0.38) GRIA1GRIA2GRIA3SMN1; SMN2IDO1
SCHEMBL9973052 0.79 ELANE (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL13267179 0.78 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL9973043 0.78 NPC1 (0.46) ALDH1A1MAPTNPC1RAB9A

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 SLC6A2 4644/4885SLC6A4 4564/4885SLC6A3 4657/4885

“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.