SCHEMBL21180804

SCHEMBL21180804

O=C(ON1C(=O)CCC1O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 1/20 0.40
F2 P00734 1/20 0.40
LMNA P02545 1/20 0.40
CHRNA7 P36544 4/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
TSHR P16473 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
STAT3 P40763 1/20 0.38

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
SCHEMBL25803156 0.94 ELANE (0.41) KMT2AMEN1F2LMNACHRNA7
SCHEMBL23817397 0.85 PTPN2 (0.41)
SCHEMBL20621175 0.85 SCN1A (0.44) KMT2AMEN1LMNAALDH1A1CYP1A2
SCHEMBL22272235 0.83 MGLL (0.37) KMT2ATSHR
SCHEMBL20031169 0.83 F2 (0.43) KMT2AMEN1F2LMNACHRNA7
SCHEMBL27892646 0.83 KMT2A (0.42) KMT2AMEN1F2LMNACHRNA7
SCHEMBL22822377 0.82 ALDH1A1 (0.44) KMT2AALDH1A1
SCHEMBL18457940 0.81 RAB9A (0.34) KMT2AALDH1A1
SCHEMBL24335699 0.81
SCHEMBL21118373 0.79 ALDH1A1 (0.38) KMT2AMEN1TSHRALDH1A1CYP1A2

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-20200030210-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2020-01-30 US disclosed
US-10358452-B2 Benzoic acid, benzoic acid derivatives and heteroaryl carboxylic acid conjugates of hydrocodone, prodrugs, methods of making and uses thereof KEMPHARM, INC. (US) 2019-07-23 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-10358452-B2 Benzoic acid, benzoic acid derivatives and heteroaryl carboxylic acid conjugates of hydrocodone, prodrugs, methods of making and uses thereof CYP2B6, CYP3A43, CYP2D6 KMT2A 780/4885MEN1 4311/4885F2 2490/4885
US-20200030210-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION SRRM2, KRT18, YWHAZ KMT2A 1238/4885MEN1 4184/4885F2 600/4885

“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.