SCHEMBL23074701

SCHEMBL23074701

c1cc(OCCN(CCOc2ccncc2)C2CCCCCCC2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LTA4H P09960 3/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CSF1R P07333 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35

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
SCHEMBL23074699 1.00 ALDH1A1 (0.43) ALDH1A1POLBTSHRMAPK1LTA4H
SCHEMBL23074710 0.84 HRH4 (0.41) LTA4HCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL23074671 0.83 ALDH1A1 (0.53) ALDH1A1LTA4H
SCHEMBL23074716 0.82 CHRNB2 (0.58) CHRNB2CHRNA4
SCHEMBL23074644 0.81 KDM4E (0.51) ALDH1A1CYP2D6CYP1A2CYP2C19NFE2L2
SCHEMBL23074697 0.81 HTR2A (0.47) ALDH1A1LTA4HNFE2L2
SCHEMBL23074674 0.78 HRH3 (0.47) ALDH1A1TSHRLTA4HCYP2D6CYP1A2
SCHEMBL23074692 0.77 KMT2A (0.48) ALDH1A1TSHRLTA4HNFE2L2
SCHEMBL23074677 0.77 HRH3 (0.50) ALDH1A1CYP2D6CYP1A2CYP2C19NFE2L2
SCHEMBL13406717 0.75 ALDH1A1 (0.49) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS BIO-RAD LABORATORIES, INC. 2021-03-11 — — 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 (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-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS ABCG2, SLC7A1, MSR1 ALDH1A1 4738/4885POLB 4293/4885TSHR 1626/4885

“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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