SCHEMBL5491480

SCHEMBL5491480

CCCCC(CCCC)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.57
CA1 P00915 4/20 0.57
MAPK1 P28482 1/20 0.52
CPB2 Q96IY4 2/20 0.52
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.39

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
Hydrochloric Acid SCHEMBL27486062 0.98 CA2 (0.55) CA2CA1MAPK1CPB2SLC1A3
SCHEMBL21052329 0.98 CA2 (0.55) CA2CA1MAPK1CPB2SLC1A3
SCHEMBL28301437 0.98 CA2 (0.55) CA2CA1MAPK1CPB2SLC1A3
SCHEMBL7913384 0.96 CA2 (0.53) CA2CA1MAPK1CPB2SLC1A3
SCHEMBL18837210 0.96 CA2 (0.53) CA2CA1MAPK1CPB2SLC1A3
SCHEMBL9000340 0.94 CA2 (0.57) CA2CA1MAPK1CPB2SLC1A2
SCHEMBL28793337 0.94 CA2 (0.57) CA2CA1MAPK1CPB2SLC1A2
SCHEMBL3312232 0.94 CA2 (0.57) CA2CA1MAPK1CPB2SLC1A2
SCHEMBL18143477 0.94 CA2 (0.57) CA2CA1MAPK1CPB2SLC1A2
Hydrochloric Acid SCHEMBL28630562 0.94 CA2 (0.52) CA2CA1MAPK1CPB2SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151049-A1 Compounds Useful in HIV Therapy VIIV HEALTHCARE COMPANY (US) 2023-05-18 US disclosed
US-20230151049-A1 Compounds Useful in HIV Therapy VIIV HEALTHCARE COMPANY (US) 2023-05-18 US disclosed
EP-4126888-A1 COMPOUNDS USEFUL IN HIV THERAPY VIIV Healthcare Company (US) 2023-02-08 EP disclosed
WO-2021194828-A1 COMPOUNDS USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2021-09-30 WO disclosed
US-9890231-B2 Triarylphosphine or triarylarsine compound, alpha-olefin polymerization catalyst using the compound, ternary copolymer, and production process of alpha-olefin-((meth)acrylic acid)-based copolymer JAPAN POLYETHYLENE CORPORATION (JP) 2018-02-13 US disclosed
US-20160264699-A1 NOVEL TRIARYLPHOSPHINE OR TRIARYLARSINE COMPOUND, ALPHA-OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND, TERNARY COPOLYMER, AND PRODUCTION PROCESS OF ALPHA-OLEFIN -((METH)ACRYLIC ACID)-BASED COPOLYMER JAPAN POLYETHYLENE CORPORATION (JP) 2016-09-15 US disclosed
US-9153785-B2 Semiconducting polymers THE UNIVERSITY OF CHICAGO (US) 2015-10-06 US disclosed
US-9153785-B2 Semiconducting polymers THE UNIVERSITY OF CHICAGO (US) 2015-10-06 US disclosed
US-9153785-B2 Semiconducting polymers THE UNIVERSITY OF CHICAGO (US) 2015-10-06 US disclosed
US-20140145119-A1 SEMICONDUCTING POLYMERS UNIVERSITY OF CHICAGO (US) 2014-05-29 US disclosed
US-20140145119-A1 SEMICONDUCTING POLYMERS UNIVERSITY OF CHICAGO (US) 2014-05-29 US disclosed
US-20140145119-A1 SEMICONDUCTING POLYMERS UNIVERSITY OF CHICAGO (US) 2014-05-29 US disclosed
CN-103619902-A Semiconducting polymers UNIV CHICAGO 2014-03-05 CN disclosed
EP-2697283-A1 SEMICONDUCTING POLYMERS University of Chicago (US) 2014-02-19 EP disclosed
WO-2012142469-A1 SEMICONDUCTING POLYMERS UNIVERSITY OF CHICAGO (US) 2012-10-18 WO disclosed
WO-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed
US-3933889-A 4,5-Cis-didehydro-PGF1.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-20 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-20230151049-A1 Compounds Useful in HIV Therapy CCR5, CD4, NPC1 CA2 4540/4885CA1 4583/4885MAPK1 3677/4885

“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.