SCHEMBL20009593

SCHEMBL20009593

C=C(CCCN)CCCC(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
PTPN1 P18031 1/20 0.33
GABBR2 O75899 2/20 0.32
GABBR1 Q9UBS5 2/20 0.32
CYP1A2 P05177 2/20 0.32
GABRR3 A8MPY1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
HDAC3 O15379 1/20 0.32
THRB P10828 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRR2 P28476 1/20 0.32
SLC6A1 P30531 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 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
SCHEMBL28660811 0.88 LMNA (0.41) LMNAPTPN1TSHRBLMKMT2A
SCHEMBL3720306 0.80 LMNA (0.45) LMNAGABBR2GABBR1CYP1A2GABRR3
SCHEMBL18458271 0.79 LMNA (0.35) LMNAPTPN1BLMKMT2AKDM1A
SCHEMBL8218123 0.79 LMNA (0.35) LMNAPTPN1BLMKMT2AKDM1A
SCHEMBL11636868 0.79 PTPN1 (0.38) LMNAPTPN1TSHRBLMKMT2A
SCHEMBL8218435 0.79 LMNA (0.35) LMNAPTPN1BLMKMT2AKDM1A
SCHEMBL9191489 0.78 LMNA (0.43) LMNAPTPN1BLMKMT2ATRPV1
SCHEMBL20009387 0.77 PTPN1 (0.33) LMNAPTPN1KDM1ACA1
SCHEMBL8215888 0.77 PTPN1 (0.33) LMNAPTPN1KDM1ACA1
SCHEMBL14216732 0.77 PTPN1 (0.37) LMNAPTPN1KDM1ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 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-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA LMNA 2426/4885PTPN1 1475/4885GABBR2 4574/4885

“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.