SCHEMBL23949707

SCHEMBL23949707

O=C(OCc1ccccc1)N1CCc2c(c3ccccc3c3ccccc23)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.57
SIGMAR1 Q99720 2/20 0.57
PTGDR2 Q9Y5Y4 13/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL13962551 0.81 PTGDR2 (0.54) TMEM97SIGMAR1PTGDR2MEN1KMT2A
SCHEMBL1000954 0.80 TRPV1 (0.69) HDAC1HDAC6
SCHEMBL12868460 0.80 MAPT (0.62) TMEM97SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL265902 0.80 MEN1 (0.58) TMEM97SIGMAR1PTGDR2MEN1KMT2A
SCHEMBL6333416 0.79 HDAC1 (0.66) TMEM97SIGMAR1PTGDR2MEN1KMT2A
SCHEMBL324228 0.79 TMEM97 (0.67) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL541411 0.79 MEN1 (0.57) TMEM97SIGMAR1PTGDR2MEN1KMT2A
SCHEMBL15056537 0.79 TMEM97 (0.52) TMEM97SIGMAR1PTGDR2MEN1KMT2A
SCHEMBL13011574 0.78 HDAC1 (0.61) TMEM97SIGMAR1PTGDR2MEN1KMT2A
SCHEMBL15056470 0.78 TMEM97 (0.69) TMEM97SIGMAR1PTGDR2MEN1KMT2A

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-20210323987-A1 Methods for the Synthesis of Heteroatom Containing Polycyclic Aromatic Hydrocarbons THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-21 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 (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-20210323987-A1 Methods for the Synthesis of Heteroatom Containing Polycyclic Aromatic Hydrocarbons AHR, PAH, ALKBH3 TMEM97 4861/4885SIGMAR1 3343/4885PTGDR2 2711/4885

“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.