SCHEMBL16603172

SCHEMBL16603172

C=C(/C=C\C(=C/NC)C1CCCC1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KCNK3 O14649 1/20 0.32
▸ KCNK9 Q9NPC2 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL16603300 0.82 NPC1 (0.39) HPGDRAB9AALDH1A1NPC1
SCHEMBL17518737 0.79 MTNR1A (0.33) MTNR1AMTNR1BHPGDKCNK3KCNK9
SCHEMBL17518761 0.75 MTNR1A (0.32) MTNR1AMTNR1BHPGDKCNK3KCNK9
SCHEMBL16603136 0.75 MTNR1A (0.35) MTNR1AMTNR1BHPGDKCNK3KCNK9
SCHEMBL15290749 0.73 MAOA (0.32) HPGDLMNASMN1; SMN2ALDH1A1RECQL
SCHEMBL15290758 0.73 ALDH1A1 (0.32) MTNR1AMTNR1BHPGDPOLBLMNA
SCHEMBL17759090 0.72 MTNR1A (0.33) MTNR1AMTNR1BPOLBGAARAB9A
SCHEMBL17228462 0.70 ATM (0.42) HPGDLMNAGAARAB9ASMN1; SMN2
SCHEMBL17177477 0.70 SMN1; SMN2 (0.35) HPGDLMNARAB9AHTTSMN1; SMN2
SCHEMBL16603263 0.70 LMNA (0.32) MTNR1AMTNR1BHPGDLMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160260913-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-09-08 — — US disclosed
US-20150097169-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-04-09 — — US disclosed
US-20150090981-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-04-02 — — 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-20160260913-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES EML4, TYR, L1CAM MTNR1A 2590/4885MTNR1B 2306/4885HPGD 2948/4885

“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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