SCHEMBL7366005

SCHEMBL7366005

COc1ccc(C=O)cc1Oc1cc(C=O)ccc1OC

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.84
TSHR P16473 1/20 0.84
FDPS P14324 1/20 0.65
TTR P02766 1/20 0.64
HPGD P15428 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
AOX1 Q06278 1/20 0.63
TRIM24 O15164 1/20 0.63
ALDH5A1 P51649 1/20 0.63
ABAT P80404 1/20 0.63
TRIM33 Q9UPN9 1/20 0.63
GAA P10253 2/20 0.56
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A3 P47895 1/20 0.53
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.49

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
SCHEMBL21328335 0.96 ALDH1A1 (0.85) ALDH1A1TSHRFDPSTTRHPGD
SCHEMBL1869030 0.92 ALDH1A1 (0.84) ALDH1A1TSHRFDPSTTRHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL1330962 0.91 ALDH1A1 (1.00) ALDH1A1TSHRFDPSTTRHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL29364994 0.91 ALDH1A1 (1.00) ALDH1A1TSHRFDPSTTRHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL5308959 0.91 ALDH1A1 (1.00) ALDH1A1TSHRFDPSTTRHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL25202 0.91 ALDH1A1 (1.00) ALDH1A1TSHRFDPSTTRHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL29624454 0.89 ALDH1A1 (0.96) ALDH1A1TSHRFDPSTTRHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL28205798 0.89 ALDH1A1 (0.96) ALDH1A1TSHRFDPSTTRHPGD
SCHEMBL26927383 0.89 ALDH1A1 (0.79) ALDH1A1TSHRFDPSTTRHPGD
SCHEMBL23697323 0.88 ALDH1A1 (0.66) ALDH1A1TSHRFDPSTTRHPGD

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-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
US-5459145-A Calcium independent camp phosphodiesterase inhibitor antidepressant PFIZER INC. (US) 1995-10-17 US disclosed
US-5294730-A A-Amino-4-alkoxy-3-polycycloalkyloxybenzyl cyanide derivatives PFIZER INC. (US) 1994-03-15 US disclosed
EP-0247725-B1 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER (US) 1994-03-02 EP disclosed
US-5196426-A CALCIUM INDEPENDENT C AMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1993-03-23 US disclosed
CN-1018827-B CALCIUM INDEPENDENT CAMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER (US) 1992-10-28 CN disclosed
US-5128358-A Aryl substituted nitrogen heterocyclic antidepressants PFIZER INC. (US) 1992-07-07 US disclosed
EP-0247725-A2 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER INC. (US) 1987-12-02 EP disclosed
CN-87103225-A Antidepressant noncalcium Cyclic Adenosine Monophosphate (CAMP) phosphodiesterase inhibitor 1987-11-11 CN disclosed
WO-1987006576-A1 CALCIUM INDEPENDENT CAMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1987-11-05 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-20190275027-A1 Bis-Benzyl-Tetrahydroisoquinoline Derivatives As Therapeutics For Filovirus TREH, TTN, TSN ALDH1A1 2748/4885TSHR 1544/4885FDPS 1971/4885

“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.