SCHEMBL2631503

SCHEMBL2631503

C=C(C(=O)N1CCCCC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.63
MAPK1 P28482 1/20 0.63
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NAAA Q02083 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.46
GAA P10253 1/20 0.45
SLC6A7 Q99884 1/20 0.45

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
SCHEMBL14453332 0.90 HPGD (0.61) HPGDMAPK1MEN1KMT2ALMNA
SCHEMBL5177018 0.88 HPGD (0.58) HPGDMAPK1MEN1KMT2ALMNA
SCHEMBL28916549 0.81 HPGD (0.69) HPGDMAPK1MEN1KMT2ALMNA
SCHEMBL29209373 0.80 ALDH1A1 (0.49) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3456729 0.80 HPGD (0.96) HPGDMAPK1MEN1KMT2ALMNA
SCHEMBL3454812 0.80 HPGD (0.96) HPGDMAPK1MEN1KMT2ALMNA
SCHEMBL29209339 0.78 ALOX5 (0.50) HPGDMAPK1MEN1KMT2ALMNA
SCHEMBL29209387 0.78 CHRNA7 (0.48) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL29209375 0.78 RAB9A (0.50) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6614562 0.78 HPGD (1.00) HPGDMAPK1MEN1KMT2ALMNA

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-20120101129-A1 Methylphenidate Derivatives and Uses of Them AMPIO PHARMACEUTICALS, INC. 2012-04-26 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-20120101129-A1 Methylphenidate Derivatives and Uses of Them SLC6A3, COMT, UGT1A1 HPGD 2196/4885MAPK1 2209/4885MEN1 2866/4885

“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.