SCHEMBL23957897

SCHEMBL23957897

CC1N(c2c(F)cccc2F)CCN1c1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.36
▸ PKLR P30613 1/20 0.36
▸ AADAT Q8N5Z0 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTR2C P28335 2/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL18966915 0.88 ACHE (0.41) LMNAHTR2CHTR2BHTR7SLC6A2
SCHEMBL18966917 0.76 MEN1 (0.45) LMNANOTUMALDH1A1
SCHEMBL13698771 0.74 GABRA1 (0.41) LMNAHTR2CHTR2BSLC6A2ALDH1A1
SCHEMBL23957914 0.74 AMPD2 (0.33) HTR2CHTR2B
SCHEMBL22571463 0.72 CA2 (0.40) HTR2CHTR2BALDH1A1
SCHEMBL22571373 0.71 HTR1A (0.38) LMNAHTR2CHTR2BHTR7ALDH1A1
SCHEMBL24434504 0.70 AR (0.45) ABCB1
SCHEMBL22571374 0.69 PDCD1 (0.37) HTR2CABCB1HTR2BHTR7
SCHEMBL22571461 0.67 TSHR (0.43) LMNAHTR2CHTT
SCHEMBL18293069 0.67 HTR2C (0.35) HTR2CABCB1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210332011-A1 TOTAL SYNTHESIS OF PROSTAGLANDIN J NATURAL PRODUCTS BY TEREORETENTIVE METATHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-28 — — 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-20210332011-A1 TOTAL SYNTHESIS OF PROSTAGLANDIN J NATURAL PRODUCTS BY TEREORETENTIVE METATHESIS PTGES, PTGES2, PTGIS PKM 1957/4885PKLR 1095/4885AADAT 2229/4885

“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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