SCHEMBL14677742

SCHEMBL14677742

O=C(O)CCCOc1c2occc2cc2ccc(=O)oc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.73
▸ KCNA3 P22001 6/20 0.70
▸ KCNA5 P22460 3/20 0.67
▸ CYP3A4 P08684 5/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ BACE1 P56817 2/20 0.60
▸ GAA P10253 2/20 0.60
▸ ABCB1 P08183 1/20 0.60
▸ CYP1B1 Q16678 1/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ HSD17B10 Q99714 3/20 0.60
▸ POLB P06746 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ CYP2D6 P10635 2/20 0.58
▸ CYP2A6 P11509 2/20 0.58
▸ ACHE P22303 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ PDE4A P27815 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
SCHEMBL31546585 0.90 MAOA (0.77) MAOAKCNA3KCNA5CYP3A4ALDH1A1
SCHEMBL13985912 0.87 MAOA (0.68) MAOAKCNA3KCNA5CYP3A4ALDH1A1
SCHEMBL20278761 0.86 MAOA (0.66) MAOAKCNA3KCNA5CYP3A4ALDH1A1
SCHEMBL10491029 0.86 MAOA (0.78) MAOAKCNA3KCNA5CYP3A4ALDH1A1
SCHEMBL20278763 0.85 MAOA (0.65) MAOAKCNA3KCNA5CYP3A4ALDH1A1
SCHEMBL17373028 0.84 MAOA (1.00) MAOAKCNA3KCNA5CYP3A4ALDH1A1
SCHEMBL3446041 0.83 MAOA (0.78) MAOAKCNA3KCNA5CYP3A4ALDH1A1
SCHEMBL18788617 0.83 MAOA (0.78) MAOAKCNA3KCNA5CYP3A4ALDH1A1
SCHEMBL4274847 0.82 MAOA (0.65) MAOAKCNA3KCNA5CYP3A4ALDH1A1
SCHEMBL10321423 0.81 MAOA (0.67) MAOAKCNA3KCNA5CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742153-B1 PROTEIN AND PEPTIDE LIBRARIES MASSACHUSETTS GEN HOSPITAL (US) 2018-09-05 — — EP disclosed
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2018-06-21 — — US disclosed
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2018-06-21 — — US disclosed
US-20170198282-A1 PROTEIN AND PEPTIDE LIBRARIES THE GENERAL HOSPITAL CORPORATION (US) 2017-07-13 — — US disclosed
US-9695189-B2 Chemical crosslinkers and compositions thereof Nguyen, Mark Quang (US) 2017-07-04 — — US disclosed
US-9422550-B2 Protein and peptide libraries THE GENERAL HOSPITAL CORPORATION (US) 2016-08-23 — — US disclosed
US-20140249319-A1 CHEMICAL CROSSLINKERS AND COMPOSITIONS THEREOF Nguyen, Mark Quang (US) 2014-09-04 — — US disclosed
US-20140234898-A1 PROTEIN AND PEPTIDE LIBRARIES THE GENERAL HOSPITAL CORPORATION (US) 2014-08-21 — — US disclosed
EP-2742153-A1 PROTEIN AND PEPTIDE LIBRARIES The General Hospital Corporation (US) 2014-06-18 — — EP disclosed
WO-2013019794-A1 PROTEIN AND PEPTIDE LIBRARIES THE GENERAL HOSPITAL CORPORATION (US) 2013-02-07 — — 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-20140249319-A1 CHEMICAL CROSSLINKERS AND COMPOSITIONS THEREOF CBR3, ERCC5, LIG3 MAOA 1267/4885KCNA3 4179/4885KCNA5 4422/4885
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES NFATC1, CDK10, PDCD10 MAOA 1133/4885KCNA3 4811/4885KCNA5 4175/4885

“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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