SCHEMBL18815076

SCHEMBL18815076

Ic1ccc(N2CCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.52
▸ AKR1C3 P42330 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ MAPT P10636 5/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ ALOX15 P16050 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL625677 0.95 ALDH1A1 (0.54) LTA4HAKR1C3ALDH1A1MAPTL3MBTL1
SCHEMBL10320300 0.92 ALDH1A1 (0.58) LTA4HAKR1C3ALDH1A1MAPTL3MBTL1
SCHEMBL133561 0.92 ALDH1A1 (0.58) LTA4HAKR1C3ALDH1A1MAPTL3MBTL1
SCHEMBL14345952 0.89 AKR1C3 (0.57) LTA4HAKR1C3ALDH1A1MAPTL3MBTL1
SCHEMBL28356161 0.86 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL24518338 0.85 CHKA (0.62) AKR1C3ALDH1A1MAPTKDM4ENPC1
SCHEMBL17642581 0.83 AKR1C3 (0.57) LTA4HAKR1C3ALDH1A1MAPTALOX15
SCHEMBL14863377 0.81 LTA4H (0.69) LTA4HALDH1A1KDM4ELMNA
SCHEMBL2088597 0.81 LTA4H (0.42) LTA4HAKR1C3ALDH1A1MAPTL3MBTL1
SCHEMBL1432961 0.80 AKR1C3 (0.65) LTA4HAKR1C3ALDH1A1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259800-B2 Method of fluorination using iodonium ylides THE GENERAL HOSPITAL CORPORATION (US) 2019-04-16 — — US disclosed
US-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES THE GENERAL HOSPITAL CORPORATION 2017-05-04 — — 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-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES FLI1, ABL1, PFAS LTA4H 2343/4885AKR1C3 2092/4885ALDH1A1 2216/4885
US-10259800-B2 Method of fluorination using iodonium ylides FLI1, ABL1, PFAS LTA4H 2343/4885AKR1C3 2092/4885ALDH1A1 2216/4885

“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.

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