SCHEMBL10060106

SCHEMBL10060106

O=P(CCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
NPSR1 Q6W5P4 2/20 1.00
GAA P10253 2/20 1.00
MAPT P10636 2/20 1.00
ALPG P10696 1/20 1.00
ALOX12 P18054 1/20 1.00
NPY1R P25929 1/20 1.00
HTT P42858 1/20 1.00
NPY2R P49146 1/20 1.00
KMT2A Q03164 4/20 0.62
POLB P06746 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
USP2 O75604 2/20 0.52
CFTR P13569 1/20 0.50
LMNA P02545 1/20 0.48

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
SCHEMBL14493538 1.00 ALDH1A1 (1.00) ALDH1A1NPSR1GAAMAPTALPG
SCHEMBL10426396 1.00 ALDH1A1 (1.00) ALDH1A1NPSR1GAAMAPTALPG
SCHEMBL4162470 0.97 ALDH1A1 (0.95) ALDH1A1NPSR1GAAMAPTALPG
SCHEMBL1801537 0.92 ALDH1A1 (0.86) ALDH1A1NPSR1GAAMAPTALPG
Hydrogen Peroxide SCHEMBL8610678 0.90 ALDH1A1 (0.82) ALDH1A1NPSR1GAAMAPTALPG
SCHEMBL10985692 0.89 NPSR1 (0.80) ALDH1A1NPSR1GAAMAPTALPG
SCHEMBL6767391 0.89 NPSR1 (0.80) ALDH1A1NPSR1GAAMAPTALPG
SCHEMBL10404685 0.89 NPSR1 (0.80) ALDH1A1NPSR1GAAMAPTALPG
SCHEMBL1726010 0.89 NPSR1 (0.80) ALDH1A1NPSR1GAAMAPTALPG
SCHEMBL10870085 0.89 NPSR1 (0.80) ALDH1A1NPSR1GAAMAPTALPG

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-3114107-B1 PROPELLANE DERIVATES AND SYNTHESIS RECURIUM IP HOLDINGS LLC (US) 2020-07-22 EP disclosed
US-10654812-B2 Propellane derivates and synthesis RECURIUM IP HOLDINGS LLC (US) 2020-05-19 US disclosed
US-20170081295-A1 PROPELLANE DERIVATES AND SYNTHESIS RECURIUM IP HOLDINGS, LLC 2017-03-23 US disclosed
EP-3114107-A1 PROPELLANE DERIVATES AND SYNTHESIS Kalyra Pharmaceuticals Inc. (US) 2017-01-11 EP disclosed
WO-2015134710-A1 PROPELLANE DERIVATES AND SYNTHESIS KALYRA PHARMACEUTICALS, INC. (US) 2015-09-11 WO disclosed
US-8147921-B2 Ink set for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-20080239045-A1 INK SET FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2008-10-02 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-20170081295-A1 PROPELLANE DERIVATES AND SYNTHESIS PDHA1, PDHA2, DHPS ALDH1A1 23/4885NPSR1 3257/4885GAA 3435/4885
US-10654812-B2 Propellane derivates and synthesis PDHA1, PDHA2, DHPS ALDH1A1 23/4885NPSR1 3257/4885GAA 3435/4885

“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.