SCHEMBL21535885

SCHEMBL21535885

O=C(c1cc(-c2ccco2)on1)N1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.78
ALDH1A1 P00352 7/20 0.78
CYP1A2 P05177 1/20 0.78
HPGD P15428 5/20 0.76
NPC1 O15118 11/20 0.73
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
LMNA P02545 2/20 0.71
POLB P06746 2/20 0.71
MAPT P10636 2/20 0.71
SCD5 Q86SK9 3/20 0.69
SCD O00767 1/20 0.67
USP2 O75604 2/20 0.67
KDM4E B2RXH2 1/20 0.67
GAA P10253 1/20 0.67
TSHR P16473 2/20 0.66
ESR1 P03372 1/20 0.66
PKM P14618 1/20 0.66
ALOX15 P16050 1/20 0.66
RECQL P46063 1/20 0.66

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
SCHEMBL21536505 0.88 RAB9A (1.00) RAB9AALDH1A1CYP1A2HPGDNPC1
SCHEMBL21536275 0.82 SCD5 (0.95) RAB9AALDH1A1CYP1A2HPGDNPC1
SCHEMBL21536261 0.81 SCD5 (0.72) RAB9AALDH1A1CYP1A2HPGDNPC1
SCHEMBL21523598 0.81 SCD5 (1.00) RAB9AALDH1A1CYP1A2HPGDNPC1
SCHEMBL17553956 0.80 NPC1 (1.00) RAB9AALDH1A1HPGDNPC1MEN1
SCHEMBL21536304 0.80 SCD5 (1.00) RAB9AALDH1A1CYP1A2HPGDNPC1
SCHEMBL21536507 0.79 SCD5 (0.78) RAB9AALDH1A1CYP1A2HPGDNPC1
SCHEMBL21965559 0.78 ALDH1A1 (0.82) RAB9AALDH1A1CYP1A2HPGDNPC1
SCHEMBL1475692 0.77 RAB9A (0.66) RAB9AALDH1A1CYP1A2HPGDNPC1
SCHEMBL2526391 0.77 NPC1 (1.00) RAB9AALDH1A1CYP1A2HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 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 (2 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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 RAB9A 2129/4885ALDH1A1 656/4885CYP1A2 1091/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 RAB9A 2129/4885ALDH1A1 656/4885CYP1A2 1091/4885

“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.