SCHEMBL355339

SCHEMBL355339

COc1cc2c(OC)c(-c3c(C)cc4c(C(=O)N(CC5CC5)CC5CC5)c(OC)c(OC)cc4c3OC)c(C)cc2c(C(N)=O)c1OC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.37
AVPR1A P37288 5/20 0.37
LPAR1 Q92633 6/20 0.34
LPAR5 Q9H1C0 6/20 0.34
CRHR1 P34998 3/20 0.34
AVPR2 P30518 1/20 0.33
AVPR1B P47901 1/20 0.33
TP53 P04637 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE3A Q14432 1/20 0.33
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL354659 0.95 TDP1 (0.38) OXTRAVPR1ATP53GAATDP1
SCHEMBL353452 0.82 MEN1 (0.37) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL354656 0.80 MEN1 (0.44) LPAR1TP53TDP1
SCHEMBL355460 0.79 LMNA (0.37) LPAR1PDE1APDE1BPDE3BPDE1C
SCHEMBL353665 0.77 BCL2 (0.37) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL355205 0.77 SMN1; SMN2 (0.40) TDP1
SCHEMBL353822 0.76 BCL2 (0.40) TDP1
SCHEMBL353540 0.74 BCL2 (0.36) TP53PDE1APDE1BPDE3BPDE1C
SCHEMBL354841 0.73 TAS1R3 (0.37) TP53PDE1APDE1BPDE3BPDE1C
SCHEMBL353909 0.71 MEN1 (0.43) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418942-B1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS SANFORD-BURNHAM MEDICAL RES INST (US) 2017-08-23 EP disclosed
US-8436207-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2013-05-07 US disclosed
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 US disclosed
US-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-21 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-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS HAX1, BAX, APOL1 OXTR 2095/4885AVPR1A 4429/4885LPAR1 2280/4885
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 OXTR 2164/4885AVPR1A 4446/4885LPAR1 1932/4885

“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.