SCHEMBL9973053

SCHEMBL9973053

CCCC(C)C1CCC(c2ccc(OC(=O)C3CCC(C(=O)Oc4ccc(N5CCN(C)CC5)cc4)CC3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FAAH O00519 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ACACB O00763 8/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC4 P56524 1/20 0.36
POLB P06746 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL12127084 0.97 MAPT (0.38) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL9973048 0.91 MAPT (0.41) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL12125162 0.82 FAAH (0.45) FAAHMEN1KMT2AGAANPSR1
SCHEMBL20805876 0.82 MAPT (0.42) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL15214806 0.81 THRB (0.50) MAPTFAAHMEN1KMT2AACACB
SCHEMBL9973051 0.81 KMT2A (0.38) MEN1KMT2AACACBNPC1RAB9A
SCHEMBL12125161 0.80 FAAH (0.43) FAAHMEN1KMT2AGAANPSR1
SCHEMBL20805878 0.79 MAPT (0.41) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL15214811 0.79 THRB (0.47) MAPTHPGDFAAHMEN1KMT2A
SCHEMBL16744174 0.72 GAA (0.45) MEN1KMT2AGAANPSR1NPC1

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 785/4885HPGD 2025/4885TSHR 3723/4885

“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.