SCHEMBL2114808

SCHEMBL2114808

CCCCCc1cccc(I)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.56
LIPG Q9Y5X9 3/20 0.56
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
IDO1 P14902 2/20 0.46

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
SCHEMBL23347584 0.98 LPL (0.57) LPLLIPGTDP1L3MBTL1PPARG
SCHEMBL5599314 0.98 LPL (0.57) LPLLIPGTDP1L3MBTL1PPARG
SCHEMBL4194332 0.94 LPL (0.49) LPLLIPGIDO1
SCHEMBL30138668 0.94 LPL (0.49) LPLLIPGIDO1
SCHEMBL8661179 0.86 LPL (0.50) LPLLIPGPPARGPPARA
SCHEMBL4190473 0.85 IDO1 (0.50) LPLLIPGIDO1
SCHEMBL8518305 0.85 LPL (0.66) LPLLIPGTDP1L3MBTL1PPARG
SCHEMBL5241784 0.85 IDO1 (0.54) IDO1
SCHEMBL4032533 0.83 LPL (0.67) LPLLIPGPPARGPPARA
SCHEMBL5249436 0.83 LPL (0.67) LPLLIPGPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 CN disclosed
CN-114716296-A Efficient halogenation synthesis method of alkyl halide 北京大学 2022-07-08 CN disclosed
EP-3374028-B1 SPHINGAMIDE COMPOUNDS AND METHODS FOR BINDING INKT CELLS LA JOLLA INST ALLERGY & IMMUNOLOGY (US) 2021-05-26 EP disclosed
US-8703798-B2 Antifungal and antiparasitic indoloquinoline derivatives FLORIDA A&M UNIVERSITY (US) 2014-04-22 US disclosed
US-20120157493-A1 Antifungal and Antiparasitic Indoloquinoline Derivatives FLORIDA A&M UNIVERSITY (US) 2012-06-21 US disclosed
US-8158646-B2 Antifungal and antiparasitic indoloquinoline derivates FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 2012-04-17 US disclosed
WO-2007123732-A2 ANTIFUNGAL AND ANTIPARASITIC INDOLOQUINOLINE DERIVATIVES FLORIDA A & M UNIVERSITY (US) 2007-11-01 WO disclosed
US-20070232640-A1 Antifungal and antiparasitic indoloquinoline derivates NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-04 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-20120157493-A1 Antifungal and Antiparasitic Indoloquinoline Derivatives IDO1, IDO2, IMMT LPL 4340/4885LIPG 4546/4885TDP1 2495/4885
US-20070232640-A1 Antifungal and antiparasitic indoloquinoline derivates ARG1, ARG2, IMMT LPL 4790/4885LIPG 4827/4885TDP1 2717/4885

“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.