SCHEMBL21328331

SCHEMBL21328331

COc1cc(CCl)ccc1Oc1ccc(CCl)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.75
CA2 P00918 1/20 0.57
ATM Q13315 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 3/20 0.48
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
POLB P06746 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AOC3 Q16853 1/20 0.44
LDHA P00338 1/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL21328330 0.96 TTR (0.71) TTRCA2ATMKDM4EALDH1A1
SCHEMBL21328363 0.92 TTR (0.65) TTRCA2ATMKDM4EALDH1A1
SCHEMBL30074670 0.91 CA2 (0.68) TTRCA2ATMKDM4EALDH1A1
SCHEMBL185845 0.91 CA2 (0.68) TTRCA2ATMKDM4EALDH1A1
SCHEMBL13236279 0.87 TTR (1.00) TTRCA2ALDH1A1MEN1KMT2A
SCHEMBL2799091 0.86 TTR (1.00) TTRCA2ATMKDM4EALDH1A1
SCHEMBL21328338 0.84 TTR (0.79) TTRCA2ATMKDM4EALDH1A1
SCHEMBL9705942 0.82 TTR (0.58) TTRCA2ATMKDM4EALDH1A1
SCHEMBL11333719 0.82 CALM1 (0.61) TTRCA2ATMKDM4EALDH1A1
SCHEMBL21328355 0.82 TTR (0.57) TTRCA2ATMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190275027-A1 Bis-Benzyl-Tetrahydroisoquinoline Derivatives As Therapeutics For Filovirus SOUTHWEST RESEARCH INSTITUTE 2019-09-12 US disclosed
US-20190275027-A1 Bis-Benzyl-Tetrahydroisoquinoline Derivatives As Therapeutics For Filovirus SOUTHWEST RESEARCH INSTITUTE 2019-09-12 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 (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-20190275027-A1 Bis-Benzyl-Tetrahydroisoquinoline Derivatives As Therapeutics For Filovirus TREH, TTN, TSN TTR 483/4885CA2 3580/4885ATM 3917/4885

“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.