SCHEMBL6995672

SCHEMBL6995672

Cc1oc2cc3oc(=O)ccc3c(COCCN)c2c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
TSHR P16473 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MCL1 Q07820 1/20 0.38
KCNA3 P22001 9/20 0.38
KCNA5 P22460 6/20 0.37
KCNA1 Q09470 1/20 0.37
ALDH1A1 P00352 4/20 0.36
ALDH2 P05091 4/20 0.36
ALDH1A2 O94788 3/20 0.36
ALDH1B1 P30837 3/20 0.36
ALDH1A3 P47895 3/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
Hydrochloric Acid SCHEMBL6995179 0.99 KMT2A (0.44) KMT2ATSHRKDM4EMCL1KCNA3
SCHEMBL6991055 0.88 KMT2A (0.45) KMT2ATSHRKDM4EMCL1KCNA3
SCHEMBL6999492 0.84 KMT2A (0.41) KMT2ATSHRKDM4EMCL1KCNA3
SCHEMBL6995788 0.84 KMT2A (0.50) KMT2ATSHRKDM4EMCL1KCNA3
SCHEMBL6998915 0.78 KMT2A (0.52) KMT2ATSHRKDM4EMCL1KCNA3
SCHEMBL29563811 0.74 KMT2A (0.61) KMT2ATSHRKDM4EMCL1KCNA3
SCHEMBL6993313 0.66 MCL1 (0.41) KMT2ATSHRKDM4EMCL1ALDH1A1
Hydrochloric Acid SCHEMBL7001517 0.65 MCL1 (0.41) KMT2ATSHRKDM4EMCL1ALDH1A1
Amotosalen SCHEMBL599618 0.63 MAOA (0.44) KMT2ATSHRKDM4EMCL1KCNA3
Amotosalen SCHEMBL29442584 0.63 MAOA (0.44) KMT2ATSHRKDM4EMCL1KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032265-B1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2003-10-29 EP disclosed
US-20030082510-A1 Psoralens for pathogen inactivation CERUS CORPORATION (US) 2003-05-01 US disclosed
US-6455286-B1 MIXING PSORALEN COMPOUND OF DEFINED STRUCTURE WITH BIOLOGICAL COMPOSITION SUCH AS BLOOD OR PLATELETS, THEN PHOTOACTIVATING COMPOUND TO DEACTIVATE PATHOGEN CERUS CORPORATION 2002-09-24 US disclosed
EP-1032265-A4 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2001-05-30 EP disclosed
US-6133460-A HAVE PRIMARY AMINO SUBSTITUTIONS ON THE 3-, 4-, 5-, AND 8-POSITIONS OF THE PSORALEN WHICH PERMIT BINDING TO NUCLEIC ACID OF PATHOGENS; CONDITIONS THAT PHOTOACTIVATE THESE PSORALENS RESULT IN INACTIVATION OF PATHOGENS WHICH CONTAIN NUCLEIC ACID CERUS CORPORATION (US) 2000-10-17 US disclosed
EP-1032265-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION Cerus Corporation (US) 2000-09-06 EP disclosed
WO-1999026476-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORPORATION (US) 1999-06-03 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-20030082510-A1 Psoralens for pathogen inactivation BPGM, XPA, RAD50 KMT2A 2413/4885TSHR 3453/4885KDM4E 3035/4885

“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.