SCHEMBL87591

SCHEMBL87591

CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 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
SCHEMBL14904384 0.81
SCHEMBL15130876 0.77 HMGCR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL17300290 0.77 HMGCR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL16787497 0.77
SCHEMBL12931502 0.77
SCHEMBL12135731 0.75 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL14904382 0.75
SCHEMBL14135896 0.74 ALDH1A1 (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL87457 0.74 NAALAD2 (0.38) TSHRALDH1A1HIF1A
SCHEMBL10301462 0.74

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-20170355734-A1 Metabolically Stable Apelin Analogs in the Treatment of Disease Mediated by the Apelin Receptor UNIVERSITE DE STRASBOURG (FR) 2017-12-14 US disclosed
US-20150112042-A1 Antigen Delivery Vectors and Constructs ALTIMMUNE UK LIMITED (GB) 2015-04-23 US disclosed
US-8759281-B2 Antigen delivery vectors and constructs IMMUNE TARGETING SYSTEMS LTD. (GB) 2014-06-24 US disclosed
US-20120315293-A1 Antigen Delivery Vectors and Constructs IMMUNE TARGETING SYSTEMS LTD. 2012-12-13 US disclosed
US-8129333-B2 Antigen delivery vectors and constructs IMMUNE TARGETING SYSTEMS LTD. (GB) 2012-03-06 US disclosed
US-20120034259-A1 ANTIGEN DELIVERY VECTORS AND CONSTRUCTS ALTIMMUNE UK LIMITED (GB) 2012-02-09 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 (4 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-20150112042-A1 Antigen Delivery Vectors and Constructs LY96, CD74, CD69 TSHR 3438/4885ALDH1A1 3392/4885CYP2D6 4674/4885
US-20120315293-A1 Antigen Delivery Vectors and Constructs LY96, CD74, CD69 TSHR 3438/4885ALDH1A1 3392/4885CYP2D6 4674/4885
US-20170355734-A1 Metabolically Stable Apelin Analogs in the Treatment of Disease Mediated by the Apelin Receptor APLNR, AVPR2, AVPR1A TSHR 297/4885ALDH1A1 1151/4885CYP2D6 3020/4885
US-20120034259-A1 ANTIGEN DELIVERY VECTORS AND CONSTRUCTS LY96, CD74, CD69 TSHR 3438/4885ALDH1A1 3392/4885CYP2D6 4674/4885

“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.