SCHEMBL18509216

SCHEMBL18509216

CC(S)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ MAPT P10636 5/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL847809 0.83 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ENPSR1ALOX15
SCHEMBL18118180 0.83 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ENPSR1ALOX15
SCHEMBL18509241 0.82 MAPT (0.55) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL18509217 0.82 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EALOX15L3MBTL1
SCHEMBL19601809 0.82 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ENPSR1ALOX15
SCHEMBL21388651 0.82 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ENPSR1ALOX15
SCHEMBL14831525 0.82 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ENPSR1ALOX15
SCHEMBL10404832 0.81 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ENPSR1ALOX15
SCHEMBL277165 0.81 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ENPSR1ALOX15
Hydrochloric Acid SCHEMBL21378501 0.80 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ENPSR1ALOX15

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-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-16 — — 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-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 ALDH1A1 1095/4885MAPT 4235/4885KDM4E 3087/4885

“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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