SCHEMBL3386629

SCHEMBL3386629

CCCCCCCCCCCCCCCCOC(=O)c1ccc(I)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
NPC1 O15118 1/20 0.71
MAPT P10636 1/20 0.71
RAB9A P51151 1/20 0.71
ESR1 P03372 5/20 0.65
LMNA P02545 3/20 0.63
TSHR P16473 3/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
CYP2D6 P10635 1/20 0.63
MAPK1 P28482 1/20 0.63
NR1H2 P55055 1/20 0.63
RNASEL Q05823 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
PDE4D Q08499 1/20 0.61
STS P08842 6/20 0.61
AKR1C4 P17516 1/20 0.58
AKR1C3 P42330 1/20 0.58

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
SCHEMBL28524896 1.00 ALDH1A1 (0.71) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL29196107 1.00 ALDH1A1 (0.71) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL15962622 1.00 ALDH1A1 (0.71) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL16422182 1.00 ALDH1A1 (0.71) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL28907665 0.98 ALDH1A1 (0.69) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL17737140 0.95 ALDH1A1 (0.66) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL5028692 0.93 ESR1 (0.72) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL3382065 0.91 ALDH1A1 (0.61) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL20464819 0.91 NPC1 (0.61) ALDH1A1NPC1MAPTRAB9AESR1
SCHEMBL197446 0.91 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9AESR1

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-11266755-B2 Development and application of tumor diagnostic radioactive probe targeting folic acid receptor KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-03-08 US disclosed
US-11266755-B2 Development and application of tumor diagnostic radioactive probe targeting folic acid receptor KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-03-08 US disclosed
US-20200101179-A1 DEVELOPMENT AND APPLICATION OF TUMOR DIAGNOSTIC RADIOACTIVE PROBE TARGETING FOLIC ACID RECEPTOR KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2020-04-02 US disclosed
US-20200101179-A1 DEVELOPMENT AND APPLICATION OF TUMOR DIAGNOSTIC RADIOACTIVE PROBE TARGETING FOLIC ACID RECEPTOR KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2020-04-02 US disclosed
WO-2010074532-A9 RADIOACTIVE CELL MARKER 경북대학교 산학협력단 (KR) 2010-11-04 WO disclosed
WO-2010074532-A2 RADIOACTIVE CELL MARKER 경북대학교 산학협력단 (KR) 2010-07-01 WO 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-20200101179-A1 DEVELOPMENT AND APPLICATION OF TUMOR DIAGNOSTIC RADIOACTIVE PROBE TARGETING FOLIC ACID RECEPTOR FOLR1, FOLR2, TFRC ALDH1A1 1243/4885NPC1 64/4885MAPT 4643/4885
US-11266755-B2 Development and application of tumor diagnostic radioactive probe targeting folic acid receptor FOLR1, FOLR2, TFRC ALDH1A1 1243/4885NPC1 64/4885MAPT 4643/4885

“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.