SCHEMBL3041996

SCHEMBL3041996

CCCCCCOc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.91

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.91
NPC1 O15118 3/20 0.78
RAB9A P51151 3/20 0.78
TP53 P04637 2/20 0.76
HPGD P15428 1/20 0.76
HRH3 Q9Y5N1 11/20 0.71
MEN1 O00255 1/20 0.71
GAA P10253 1/20 0.71
KMT2A Q03164 1/20 0.71
LTA4H P09960 1/20 0.70
ACHE P22303 1/20 0.70
RAD52 P43351 1/20 0.70
S1PR5 Q9H228 1/20 0.64
ALDH1A1 P00352 1/20 0.63

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
SCHEMBL3027800 0.98 TSHR (0.88) TSHRNPC1RAB9ATP53HPGD
SCHEMBL3037458 0.95 TSHR (0.82) TSHRNPC1RAB9ATP53HPGD
SCHEMBL1044760 0.92 RAB9A (0.91) TSHRNPC1RAB9ATP53HPGD
SCHEMBL1046370 0.87 TSHR (0.84) TSHRNPC1RAB9ATP53HPGD
SCHEMBL24514228 0.87 RAB9A (1.00) TSHRNPC1RAB9ATP53HPGD
SCHEMBL27640984 0.85 HRH3 (0.70) TSHRHRH3ACHERAD52
SCHEMBL28760646 0.85 HRH3 (0.70) TSHRHRH3ACHERAD52
SCHEMBL27661481 0.85 HRH3 (0.70) TSHRHRH3ACHERAD52
SCHEMBL27661480 0.85 HRH3 (0.70) TSHRHRH3ACHERAD52
SCHEMBL3571025 0.84 HRH3 (0.79) TSHRHRH3ACHERAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 TSHR 1839/4885NPC1 965/4885RAB9A 2255/4885

“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.