SCHEMBL18927360

SCHEMBL18927360

CC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.62
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL3287845 0.88 SLC9A1 (0.62) SLC9A1MAPTMEN1KMT2ALMNA
SCHEMBL16819920 0.88 SLC9A1 (0.62) SLC9A1MAPTMEN1KMT2ALMNA
SCHEMBL3287838 0.88 SLC9A1 (0.62) SLC9A1MAPTMEN1KMT2ALMNA
SCHEMBL3655655 0.88 SLC9A1 (0.62) SLC9A1MAPTMEN1KMT2ALMNA
SCHEMBL3287837 0.88 SLC9A1 (0.62) SLC9A1MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL11009588 0.86 SLC9A1 (0.60) SLC9A1MAPTMEN1KMT2ALMNA
SCHEMBL3288310 0.84 SLC9A1 (0.68) SLC9A1MAPTKMT2ALMNAHTT
SCHEMBL2393407 0.84 SLC9A1 (0.68) SLC9A1MAPTKMT2ALMNAHTT
SCHEMBL11009581 0.84 SLC9A1 (0.58) SLC9A1MAPTMEN1KMT2ALMNA
SCHEMBL3288307 0.84 SLC9A1 (0.68) SLC9A1MAPTKMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790173-B2 Alpha-7 nicotinic acetylcholine receptor modulators and uses thereof-I MERCK SHARP & DOHME CORP. (US) 2017-10-17 US disclosed
US-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I MERCK SHARP & DOHME CORP. (US) 2017-06-08 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-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I CHRNA7, CHRNA5, CHRNA6 SLC9A1 1860/4885MAPT 1141/4885MEN1 3964/4885

“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.