SCHEMBL5584420

SCHEMBL5584420

COc1cccc2cc(-c3cc(C)no3)oc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
APOBEC3G Q9HC16 1/20 0.53
RAB9A P51151 2/20 0.52
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
F2RL3 Q96RI0 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
CYP2A6 P11509 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL5584746 0.81 F2RL3 (0.43) ALDH1A1KDM4EF2RL3ADORA2AADORA1
SCHEMBL5584281 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EAPOBEC3GRAB9AMAPT
SCHEMBL5584476 0.77 F2RL3 (0.49) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL5584453 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EAPOBEC3GRAB9AMAPT
SCHEMBL5722935 0.74 RAB9A (0.64) ALDH1A1KDM4EAPOBEC3GRAB9AMAPT
SCHEMBL5722821 0.74 ALDH1A1 (0.58) ALDH1A1KDM4EAPOBEC3GRAB9AMAPT
SCHEMBL73415 0.73 LMNA (0.58) ALDH1A1KDM4EAPOBEC3GRAB9AMAPT
SCHEMBL17069010 0.72 BRD4 (0.64) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL5722865 0.71 ALDH1A1 (0.66) ALDH1A1KDM4EAPOBEC3GRAB9AMAPT
SCHEMBL5907517 0.71 ALDH1A1 (0.51) ALDH1A1KDM4EAPOBEC3GRAB9AMAPT

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
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885KDM4E 610/4885APOBEC3G 4685/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885KDM4E 610/4885APOBEC3G 4685/4885

“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.