SCHEMBL20150964

SCHEMBL20150964

CC1=[N+](CCCCCC(=O)O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc3c2C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.47
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CYP1B1 Q16678 3/20 0.35
ALDH1A1 P00352 2/20 0.33
TBXA2R P21731 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.31
MMP12 P39900 1/20 0.31
FABP4 P15090 1/20 0.31

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
SCHEMBL716120 1.00 FOLH1 (0.47) FOLH1HDAC3HDAC4HDAC1HDAC7
Bromide SCHEMBL7750130 0.99 FOLH1 (0.46) FOLH1HDAC3HDAC4HDAC1HDAC7
Bromide SCHEMBL7750134 0.99 FOLH1 (0.46) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10077596 0.93 FOLH1 (0.51) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL14883335 0.88 FOLH1 (0.42) FOLH1ALDH1A1TBXA2RFABP4
SCHEMBL14883323 0.88 FOLH1 (0.42) FOLH1ALDH1A1TBXA2RFABP4
SCHEMBL136522 0.86 FOLH1 (0.41) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL205981 0.85 FOLH1 (0.42) FOLH1ALDH1A1TBXA2RPKMFABP4
SCHEMBL25790183 0.85 FOLH1 (0.40) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL16509846 0.83 FOLH1 (0.39) FOLH1ALDH1A1MAPK1FABP4

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-20230219932-A1 COMPOUND AND LABELED BIOLOGICAL SUBSTANCE USING THE SAME FUJIFILM CORPORATION (JP) 2023-07-13 US disclosed
US-20180134689-A1 BENZOCYANINE COMPOUNDS DYOMICS GMBH (DE) 2018-05-17 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-20180134689-A1 BENZOCYANINE COMPOUNDS TBCA, BCAT1, BCAT2 FOLH1 1282/4885HDAC3 387/4885HDAC4 817/4885
US-20230219932-A1 COMPOUND AND LABELED BIOLOGICAL SUBSTANCE USING THE SAME BMP1, BMP2, NPSR1 FOLH1 1233/4885HDAC3 1855/4885HDAC4 2575/4885

“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.