SCHEMBL12932609

SCHEMBL12932609

Cc1ccccc1OCC(O)CN(C)N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ ALOX15 P16050 1/20 0.63
▸ LMNA P02545 5/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ADRB2 P07550 1/20 0.56
▸ ADRB1 P08588 1/20 0.56
▸ ADRB3 P13945 1/20 0.56
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ SCN4A P35499 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NPY1R P25929 1/20 0.48

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
SCHEMBL18423672 0.83 KDM4E (0.82) KDM4ECYP1A2ALOX15LMNAKMT2A
SCHEMBL12932615 0.81 NR2E1 (0.67) KDM4ECYP1A2LMNAKMT2AMEN1
SCHEMBL7400700 0.80 ALOX15 (0.93) KDM4ECYP1A2ALOX15LMNAKMT2A
SCHEMBL768488 0.80 ALOX15 (0.93) KDM4ECYP1A2ALOX15LMNAKMT2A
SCHEMBL768489 0.80 ALOX15 (0.93) KDM4ECYP1A2ALOX15LMNAKMT2A
SCHEMBL13328786 0.79 KDM4E (0.65) KDM4ECYP1A2ALOX15LMNAKMT2A
SCHEMBL6264190 0.79 HIF1A (0.57) KDM4ELMNAADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL11100810 0.79 ALOX15 (0.97) KDM4ECYP1A2ALOX15LMNAKMT2A
Mephenesin SCHEMBL6482337 0.78 CYP1A2 (1.00) KDM4ECYP1A2ALOX15LMNAKMT2A
Mephenesin SCHEMBL332864 0.78 CYP1A2 (1.00) KDM4ECYP1A2ALOX15LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021760-A1 CRYSTALLINE VAP-1 AND USES THEREOF SALMINEN TIINA 2011-01-27 — — US disclosed
US-20110021760-A1 CRYSTALLINE VAP-1 AND USES THEREOF SALMINEN TIINA 2011-01-27 — — US disclosed
US-7499847-B2 Crystalline VAP-1 and uses thereof BIOTIE THERAPIES CORPORATION (FI) 2009-03-03 — — US disclosed
US-7499847-B2 Crystalline VAP-1 and uses thereof BIOTIE THERAPIES CORPORATION (FI) 2009-03-03 — — US disclosed
US-20070093646-A1 Crystalline vap-1 and uses thereof BIOTIE THERAPIES CORPORATION (FI) 2007-04-26 — — US disclosed
US-20070093646-A1 Crystalline vap-1 and uses thereof BIOTIE THERAPIES CORPORATION (FI) 2007-04-26 — — 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 (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-20070093646-A1 Crystalline vap-1 and uses thereof VCAM1, VAPB, VAPA KDM4E 4544/4885CYP1A2 4287/4885ALOX15 2589/4885
US-20110021760-A1 CRYSTALLINE VAP-1 AND USES THEREOF VAPB, VCAM1, VAPA KDM4E 4518/4885CYP1A2 4294/4885ALOX15 2558/4885

“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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