SCHEMBL30504182

SCHEMBL30504182

CCCCCOc1ccc(-c2ccc(-c3ccc(OCCCC)cc3OCCCN)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.47
▸ RARB P10826 3/20 0.46
▸ CYP3A4 P08684 3/20 0.45
▸ CYP2D6 P10635 3/20 0.45
▸ NR5A1 Q13285 1/20 0.43
▸ HTR1A P08908 6/20 0.42
▸ HTR1D P28221 6/20 0.42
▸ HTR1B P28222 6/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ LTA4H P09960 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL20928533 1.00 PTPN11 (0.47) PTPN11RARBCYP3A4CYP2D6NR5A1
SCHEMBL25853064 0.97 PTPN11 (0.47) PTPN11RARBCYP3A4CYP2D6NR5A1
SCHEMBL20928536 0.96 PTPN11 (0.49) PTPN11RARBCYP3A4CYP2D6NR5A1
SCHEMBL30745238 0.96 PTPN11 (0.49) PTPN11RARBCYP3A4CYP2D6NR5A1
SCHEMBL20928532 0.96 PTPN11 (0.49) PTPN11RARBCYP3A4CYP2D6NR5A1
SCHEMBL30504180 0.96 PTPN11 (0.49) PTPN11RARBCYP3A4CYP2D6NR5A1
SCHEMBL20928528 0.93 SYK (0.46) PTPN11RARBCYP3A4CYP2D6NR5A1
SCHEMBL30745239 0.93 SYK (0.46) PTPN11RARBCYP3A4CYP2D6NR5A1
SCHEMBL25852886 0.91 PTPN11 (0.54) PTPN11RARBCYP3A4CYP2D6NR5A1
SCHEMBL30504169 0.91 SYK (0.46) PTPN11RARBCYP3A4CYP2D6NR5A1

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-11891558-B2 Solid foam comprising mesogenic ligand-functionalized nanoparticles and methods of making and using the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-02-06 — — US disclosed
US-11708530-B2 Organic ligands for templatable mesoscale nanocapsules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-25 — — 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-11708530-B2 Organic ligands for templatable mesoscale nanocapsules EPCAM, L1CAM, ICOSLG PTPN11 854/4885RARB 1796/4885CYP3A4 3616/4885

“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.

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