SCHEMBL7250301

SCHEMBL7250301

CN(C)CCc1cc2ccccc2c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HTR2A P28223 3/20 0.49
HTR1A P08908 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
RAD52 P43351 1/20 0.48
KMT2A Q03164 1/20 0.48
TAAR1 Q96RJ0 4/20 0.47
ATM Q13315 1/20 0.45
HTR6 P50406 3/20 0.42
CHEK1 O14757 1/20 0.42
HTR1B P28222 1/20 0.41

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
SCHEMBL28642472 0.82 HTR2A (0.59) KDM4EALDH1A1MAPTHTR2AHTR1A
SCHEMBL597663 0.79 GPR84 (0.51) KDM4EALDH1A1MAPTHTR2AATM
SCHEMBL605212 0.77 HTR2A (0.61) ALDH1A1MAPTHTR2AHTR1AHTR2C
SCHEMBL7364107 0.75 TRPM4 (0.43) ALDH1A1MAPTHTR2APOLBRAD52
SCHEMBL2311037 0.75 TRPM4 (0.48) KDM4EALDH1A1MAPTHTR2AMEN1
SCHEMBL7247940 0.75 DHODH (0.49) ALDH1A1MAPTHTR2AHTR2CPOLB
SCHEMBL7249959 0.75 L3MBTL1 (0.47) ALDH1A1MAPTHTR2APOLBRAD52
SCHEMBL27622116 0.75 TRPM4 (0.43) ALDH1A1MAPTHTR2APOLBRAD52
SCHEMBL598643 0.74 TRPM4 (0.46) KDM4EALDH1A1MAPTHTR2AATM
SCHEMBL6788451 0.74 NCF1 (0.60) HTR2AHTR1AHTR2CHTR2BPOLB

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-20030108892-A1 Irradiation of pyrene and dimethyl aniline in water, forming labels for oligonucleotides, proteins, ceramics, transistors, semiconductors, insulators, or glass THE UNIVERSITY OF MANCHESTER (GB) 2003-06-12 US disclosed
EP-1242360-A2 EXCIPLEXES THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 2002-09-25 EP disclosed
WO-2001046121-A2 EXCIPLEXES THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 2001-06-28 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 (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-20030108892-A1 Irradiation of pyrene and dimethyl aniline in water, forming labels for oligonucleotides, proteins, ceramics, transistors, semiconductors, insulators, or glass MDM4, PHAX, DIMT1 KDM4E 2365/4885ALDH1A1 4658/4885MAPT 1213/4885

“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.