SCHEMBL4334631

SCHEMBL4334631

CC(=CC1CCC(N)CC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRG2 P18507 1/20 0.35
RXRA P19793 1/20 0.35
GABRB3 P28472 1/20 0.35
RXRB P28702 1/20 0.35
GABRB2 P47870 1/20 0.35
RXRG P48443 1/20 0.35
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 1/20 0.33
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7681661 0.89
SCHEMBL701151 0.89
SCHEMBL5606967 0.89 ALDH1A1 (0.40) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL5606971 0.89 ALDH1A1 (0.40) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL4325997 0.83
SCHEMBL6474031 0.81 ALDH1A1 (0.37) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL1052747 0.81 ALDH1A1 (0.39) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL134842 0.81 ALDH1A1 (0.37) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL1052754 0.81 ALDH1A1 (0.39) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL18543812 0.80 GRIK1 (0.39) ALDH1A1GABRA1TSHRGABRG2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9463146-B2 Addition-fragmentation oligomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-10-11 US disclosed
US-9403966-B2 Addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-08-02 US disclosed
US-20150328086-A1 ADDITION-FRAGMENTATION OLIGOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-11-19 US disclosed
US-20150203658-A1 ADDITION-FRAGMENTATION AGENTS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-07-23 US disclosed
US-8980969-B2 Addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-03-17 US disclosed
US-20090264551-A1 Photocurable fixture for orthopedic surgery background of the invention ALCARE CO., LTD. 2009-10-22 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-20150328086-A1 ADDITION-FRAGMENTATION OLIGOMERS FGB, ZYX, APBA1 ALDH1A1 1881/4885GABRA1 1752/4885TSHR 4869/4885

“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.