SCHEMBL1858792

SCHEMBL1858792

CC(Oc1ccc(C=O)cc1)N(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.66
ALDH1A1 P00352 7/20 0.50
CYP2A6 P11509 3/20 0.50
DRD1 P21728 1/20 0.50
TYR P14679 1/20 0.45
CYP2A13 Q16696 1/20 0.45
STS P08842 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALDH3A1 P30838 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37

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
SCHEMBL11625237 0.81 ALDH1A3 (0.61) ALDH1A3ALDH1A1CYP2A6DRD1TYR
SCHEMBL3446236 0.81 ALDH1A1 (0.42) ALDH1A3ALDH1A1DRD1LMNASMN1; SMN2
SCHEMBL14016002 0.79 ALDH1A3 (0.76) ALDH1A3ALDH1A1CYP2A6DRD1TYR
SCHEMBL384361 0.79 ALDH1A3 (1.00) ALDH1A3ALDH1A1CYP2A6DRD1TYR
SCHEMBL11290007 0.79 SRC (0.46) ALDH1A3ALDH1A1DRD1LMNASMN1; SMN2
SCHEMBL6317305 0.77 ALDH1A3 (0.55) ALDH1A3ALDH1A1CYP2A6DRD1TYR
SCHEMBL7446956 0.77 ALDH1A3 (0.59) ALDH1A3ALDH1A1CYP2A6DRD1TYR
SCHEMBL7455201 0.76 THRB (0.58) ALDH1A1TYRSMN1; SMN2HPGDKDM4E
SCHEMBL4537506 0.76 THRB (0.58) ALDH1A1TYRSMN1; SMN2HPGDKDM4E
SCHEMBL1177478 0.76 ALDH1A3 (0.70) ALDH1A3ALDH1A1CYP2A6DRD1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288528-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti—Società di Esercizio S.p.A. (IT) 2012-10-16 US disclosed
EP-1558616-B2 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2011-08-24 EP disclosed
US-7947674-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti (IT) 2011-05-24 US disclosed
US-20110112464-A1 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2011-05-12 US disclosed
EP-1558616-B1 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2008-02-27 EP disclosed
US-20060040914-A1 Meso-substituted porphyrins L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2006-02-23 US disclosed
EP-1558616-A2 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO SOCIETA' PER AZIONI (IT) 2005-08-03 EP disclosed
WO-2004035590-A2 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A (IT) 2004-04-29 WO disclosed
US-4623660-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-18 US disclosed
EP-0002097-B1 TRIPHENYLALKENE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-05 EP disclosed
EP-0002097-A1 Triphenylalkene derivatives, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-05-30 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 (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-20060040914-A1 Meso-substituted porphyrins PPOX, PPIF, ALAD ALDH1A3 1409/4885ALDH1A1 1696/4885CYP2A6 1363/4885

“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.