SCHEMBL1637598

SCHEMBL1637598

ClCc1nnnn1C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ CYP4F2 P78329 2/20 0.32
▸ CYP4A11 Q02928 2/20 0.32
▸ FAAH O00519 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ PDE8B O95263 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL26916041 0.82 ALDH1A1 (0.36) ALDH1A1TP53MAPTLMNAPOLB
SCHEMBL6602598 0.77 GAA (0.38) ALDH1A1LMNAPOLBGAARXRA
SCHEMBL14912168 0.72 ALDH1A1 (0.50) ALDH1A1TP53MAPTLMNAHSD11B1
SCHEMBL23684595 0.71 ALDH1A1 (0.38) ALDH1A1MAPTLMNAPOLBHSD11B1
SCHEMBL14279899 0.69 GAA (0.30) GAA
SCHEMBL22533326 0.69 CYP4F2 (0.44) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL21986866 0.68 CYP4F2 (0.37) ALDH1A1GAARXRARXRBRXRG
SCHEMBL2816857 0.68 LMNA (0.42) ALDH1A1LMNAHSD11B1L3MBTL1TSHR
SCHEMBL6768903 0.68 ALDH1A1 (0.38) ALDH1A1TP53MAPTLMNAPOLB
SCHEMBL25183987 0.66 CYP4F2 (0.37) ALDH1A1LMNAPOLBGAARXRA

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
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 — — EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 — — US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 — — US disclosed
US-20080071091-A1 PROCESSES AND COMPOUNDS FOR THE PREPARATION OF SUBSTITUTED NAPHTHYLINDOLE DERIVATIVES WYETH (US) 2008-03-20 — — US disclosed
US-20080071091-A1 PROCESSES AND COMPOUNDS FOR THE PREPARATION OF SUBSTITUTED NAPHTHYLINDOLE DERIVATIVES WYETH (US) 2008-03-20 — — US disclosed
US-7323483-B2 Processes and compounds for the preparation of substituted naphthylindole derivatives WYETH (US) 2008-01-29 — — US disclosed
US-7323483-B2 Processes and compounds for the preparation of substituted naphthylindole derivatives WYETH (US) 2008-01-29 — — US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 — — 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 ALDH1A1 2045/4885TP53 2720/4885MAPT 3333/4885
US-20080071091-A1 PROCESSES AND COMPOUNDS FOR THE PREPARATION OF SUBSTITUTED NAPHTHYLINDOLE DERIVATIVES SERPINE1, SERPINB1, TFPI ALDH1A1 214/4885TP53 1379/4885MAPT 3710/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 ALDH1A1 1901/4885TP53 3064/4885MAPT 3184/4885

“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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