SCHEMBL21523749

SCHEMBL21523749

O=C(c1cc(-c2ccco2)on1)N1CC(Oc2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 10/20 1.00
SCD O00767 7/20 1.00
ALDH1A1 P00352 7/20 0.60
POLB P06746 4/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
RAB9A P51151 3/20 0.59
CYP1A2 P05177 1/20 0.59
NPC1 O15118 2/20 0.58
HPGD P15428 2/20 0.58
USP2 O75604 3/20 0.57
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57
ALOX15 P16050 2/20 0.56
RECQL P46063 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ESR1 P03372 1/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL21535872 0.86 SCD (1.00) SCD5SCDALDH1A1POLBMAPT
SCHEMBL21523598 0.82 SCD5 (1.00) SCD5SCDALDH1A1POLBMAPT
SCHEMBL21523803 0.82 SCD5 (1.00) SCD5SCDALDH1A1POLBMAPT
SCHEMBL21536261 0.81 SCD5 (0.72) SCD5SCDALDH1A1POLBMAPT
SCHEMBL21536253 0.80 SCD5 (0.70) SCD5SCDALDH1A1POLBMAPT
SCHEMBL21536503 0.78 SCD5 (0.82) SCD5SCDALDH1A1MAPTLMNA
SCHEMBL21536304 0.76 SCD5 (1.00) SCD5SCDALDH1A1POLBMAPT
SCHEMBL28909938 0.76 SCD5 (0.77) SCD5SCDALDH1A1POLBMAPT
SCHEMBL21535885 0.75 RAB9A (0.78) SCD5SCDALDH1A1POLBMAPT
SCHEMBL21523755 0.74 SCD5 (1.00) SCD5SCDALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 CN disclosed
EP-3784234-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-03-03 EP disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
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
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 SCD5 1575/4885SCD 2044/4885ALDH1A1 656/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SCD5 1575/4885SCD 2044/4885ALDH1A1 656/4885

“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.