SCHEMBL20993533

SCHEMBL20993533

CN(C)C(=O)CCCCCCCCCCCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.60
LMNA P02545 2/20 0.60
NFKB1 P19838 1/20 0.60
PMP22 Q01453 1/20 0.60
ALDH1A1 P00352 3/20 0.58
GPR84 Q9NQS5 7/20 0.54
PPARG P37231 7/20 0.54
PPARD Q03181 7/20 0.54
PPARA Q07869 7/20 0.54
HDAC11 Q96DB2 5/20 0.54
PTPN1 P18031 3/20 0.54
TLR2 O60603 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
FABP4 P15090 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
MEN1 O00255 1/20 0.54
ESR1 P03372 1/20 0.54
ALOX15 P16050 1/20 0.54
PDE4A P27815 1/20 0.54

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
SCHEMBL21703159 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL4815884 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL812501 0.97 ALDH1A1 (0.61) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL6688889 0.92 ALDH1A1 (0.61) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL3189950 0.89 ALDH1A1 (0.70) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL15217119 0.88 EPHX2 (0.64) LMNAALDH1A1PPARGPPARDPPARA
SCHEMBL131476 0.87 ALDH1A1 (0.74) LMNAALDH1A1KDM4AKDM4CKDM5A
SCHEMBL12886622 0.86 EPHX2 (0.62) LMNAALDH1A1PPARGPPARDPPARA
Trimethylammonium SCHEMBL11145139 0.84 TSHR (0.75) TSHRLMNANFKB1PMP22ALDH1A1
Sebacic Acid SCHEMBL5874992 0.84 TSHR (0.75) TSHRLMNANFKB1PMP22ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
US-10961252-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-03-30 US disclosed
US-20190135825-A1 Quinazoline and Indole Compounds to Treat Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-09 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 (3 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-10961252-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB TSHR 2180/4885LMNA 1537/4885NFKB1 366/4885
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI TSHR 2110/4885LMNA 1541/4885NFKB1 188/4885
US-20190135825-A1 Quinazoline and Indole Compounds to Treat Medical Disorders CFB, TFPI, MAOB TSHR 2180/4885LMNA 1537/4885NFKB1 366/4885

“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.