SCHEMBL1615147

SCHEMBL1615147

CCCC(CO)C(CO)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.44
METAP1 P53582 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1615024 0.86 ALDH1A1 (0.43) TSHRLMNAALDH1A1
SCHEMBL29247954 0.82 TSHR (0.33) TSHRLMNATDP1
SCHEMBL15469683 0.81
SCHEMBL14284905 0.81
SCHEMBL3912346 0.81
SCHEMBL1614862 0.81 LMNA (0.46) TSHRLMNAMETAP1ALDH1A1
SCHEMBL1615126 0.79 LMNA (0.42) TSHRLMNATDP1
SCHEMBL1614926 0.78 LMNA (0.57) TSHRLMNAMETAP1ALDH1A1TDP1
SCHEMBL18124715 0.77 TSHR (0.48) TSHRLMNAMETAP1ALDH1A1TDP1
SCHEMBL16168450 0.75 LMNA (0.55) TSHRLMNAMETAP1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE SHIONOGI & CO (JP) 2017-10-19 US disclosed
US-9550763-B2 Heterocyclic ring and carbocyclic derivative SHIONOGI & CO., LTD. (JP) 2017-01-24 US disclosed
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative SHIONOGI & CO., LTD. (JP) 2016-01-28 US disclosed
US-20110086975-A1 COLORED GEL COAT COMPOSITION AND ARTICLE VALSPAR SOURCING, INC. 2011-04-14 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-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE P2RX3, P2RX7, P2RX2 TSHR 737/4885LMNA 3635/4885METAP1 4222/4885
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative P2RX3, P2RX7, P2RX2 TSHR 737/4885LMNA 3635/4885METAP1 4222/4885

“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.