SCHEMBL14944934

SCHEMBL14944934

C[C@@H](N)Cc1ccc(OCC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.56
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
ALOX15 P16050 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TAAR1 Q96RJ0 2/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL9651945 1.00 SLC6A4 (0.56) SLC6A4ALDH1A1TSHRALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL9765308 0.98 SLC6A4 (0.54) SLC6A4ALDH1A1TSHRALOX15SMN1; SMN2
SCHEMBL6539185 0.90 ALDH1A1 (0.68) SLC6A4ALDH1A1TSHRADRB2ADRB1
SCHEMBL9812052 0.87 SLC6A4 (0.56) SLC6A4TAAR1ADRB2ADRB1ADRB3
SCHEMBL9812059 0.87 SLC6A4 (0.56) SLC6A4TAAR1ADRB2ADRB1ADRB3
SCHEMBL22013182 0.86 ALOX15 (0.55) ALDH1A1TSHRALOX15SMN1; SMN2MAPT
SCHEMBL12086478 0.86 ALDH1A1 (0.58) ALDH1A1TSHRALOX15SMN1; SMN2ADRB2
SCHEMBL14032600 0.85 ALDH1A1 (0.57) ALDH1A1TSHRALOX15SMN1; SMN2ADRB2
SCHEMBL10702376 0.85 ALDH1A1 (0.57) ALDH1A1TSHRALOX15SMN1; SMN2ADRB2
SCHEMBL8734031 0.84 SLC6A4 (0.57) SLC6A4ALDH1A1TAAR1ADRB2ADRB1

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-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 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 (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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP SLC6A4 3408/4885ALDH1A1 3562/4885TSHR 3534/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP SLC6A4 3371/4885ALDH1A1 3502/4885TSHR 3599/4885

“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.