SCHEMBL14727255

SCHEMBL14727255

C=CCCCCN(C)CC=C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.40
LSS P48449 12/20 0.38
PYCR1 P32322 1/20 0.34
LMNA P02545 1/20 0.32
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL13757276 0.93 TSHR (0.42) TSHRALDH1A1LSSPYCR1
SCHEMBL1240087 0.87 TSHR (0.48) TSHRALDH1A1LMNAABCC4MAPT
SCHEMBL7354444 0.85 LSS (0.38) TSHRLSS
SCHEMBL7772061 0.83 LSS (0.38) TSHRLSS
SCHEMBL41687 0.82
SCHEMBL22157540 0.81 DNM1 (0.44) TSHRALDH1A1LSS
Hydrochloric Acid SCHEMBL2208460 0.80 PYCR1 (0.36) TSHRALDH1A1LSSPYCR1
Bromide SCHEMBL27474079 0.80 PYCR1 (0.36) TSHRALDH1A1LSSPYCR1
Ammonia Solution, Strong SCHEMBL28015298 0.80 PYCR1 (0.36) TSHRALDH1A1LSSPYCR1
SCHEMBL21533190 0.80 TSHR (0.48) TSHRLMNAMAPT

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
US-20170332633-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2017-11-23 US disclosed
US-8962516-B2 Heterogeneous rhodium metal catalysts THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (US) 2015-02-24 US disclosed
US-20130053576-A1 HETEROGENEOUS RHODIUM METAL CATALYSTS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA 2013-02-28 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 (2 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-20170332633-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES SLC6A9, DDT, SLC6A5 TSHR 2475/4885ALDH1A1 1490/4885LSS 1525/4885
US-20130053576-A1 HETEROGENEOUS RHODIUM METAL CATALYSTS RRM2, RRM2B, RRS1 TSHR 980/4885ALDH1A1 2886/4885LSS 1772/4885

“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.