SCHEMBL21081698

SCHEMBL21081698

CNCCCC[C@H](NC)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.47
▸ HRH1 P35367 2/20 0.47
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MMP2 P08253 4/20 0.40
▸ MMP3 P08254 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ NAAA Q02083 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ NPY1R P25929 2/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ CPB2 Q96IY4 1/20 0.39
▸ MME P08473 1/20 0.38

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
SCHEMBL21081675 1.00 HTR2A (0.47) HTR2AHRH1TSHRNPSR1MMP2
SCHEMBL21736741 0.89 HTR2A (0.45) HTR2AHRH1TSHRNPSR1MMP2
SCHEMBL24677819 0.88 HTR2A (0.44) HTR2AHRH1TSHRNPSR1MMP2
SCHEMBL21787357 0.88 HTR2A (0.44) HTR2AHRH1TSHRNPSR1MMP2
SCHEMBL21742959 0.87 TSHR (0.39) TSHRNPSR1MMP2MMP3ALDH1A1
SCHEMBL23052583 0.86 MMP1 (0.47) TSHRNPSR1MMP2MMP3ALDH1A1
SCHEMBL21081686 0.86 MMP1 (0.47) TSHRNPSR1MMP2MMP3ALDH1A1
SCHEMBL13032995 0.85 HTR2A (0.44) HTR2AHRH1MMP2MMP3NAAA
SCHEMBL23052581 0.85 KDM4E (0.42) TSHRNPSR1ALDH1A1KMT2APOLB
SCHEMBL24677821 0.85 HTR2A (0.41) HTR2AHRH1TSHRNPSR1MMP2

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
US-11717574-B2 Therapeutic dendrimers ASTRAZENECA AB (SE) 2023-08-08 — — US disclosed
US-20220273807-A1 CONJUGATES FOR USE IN METHODS OF TREATING CANCER ASTRAZENECA AB (SE) 2022-09-01 — — US disclosed
US-10888624-B2 Therapeutic dendrimers ASTRAZENECA AB (SE) 2021-01-12 — — US disclosed
US-20200069810-A1 THERAPEUTIC DENDRIMERS ASTRAZENECA PHARMACEUTICALS LP 2020-03-05 — — US disclosed
US-10314920-B2 Therapeutic dendrimers ASTRAZENECA AB (SE) 2019-06-11 — — 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 (5 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-10314920-B2 Therapeutic dendrimers CD44, ITGAV, FOLR1 HTR2A 4238/4885HRH1 4089/4885TSHR 2456/4885
US-11717574-B2 Therapeutic dendrimers CD44, ITGAV, FOLR1 HTR2A 4238/4885HRH1 4089/4885TSHR 2456/4885
US-20220273807-A1 CONJUGATES FOR USE IN METHODS OF TREATING CANCER CD44, FOLH1, SLC17A5 HTR2A 4024/4885HRH1 3040/4885TSHR 1466/4885
US-10888624-B2 Therapeutic dendrimers CD44, ITGAV, FOLR1 HTR2A 4238/4885HRH1 4089/4885TSHR 2456/4885
US-20200069810-A1 THERAPEUTIC DENDRIMERS CD44, ITGAV, FOLR1 HTR2A 4238/4885HRH1 4089/4885TSHR 2456/4885

“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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