SCHEMBL20864141

SCHEMBL20864141

CCBc1ccc(CC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ HPGD P15428 4/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ CA2 P00918 1/20 0.52
▸ CAMK2A Q9UQM7 1/20 0.52
▸ AKR1B1 P15121 1/20 0.50
▸ TSHR P16473 3/20 0.48
▸ GAA P10253 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KLKB1 P03952 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ FFAR1 O14842 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ GRK2 P25098 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL14143556 0.79 CA2 (0.56) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL69614 0.78 CA2 (0.79) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL156207 0.76 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10CA2CAMK2A
Hydrochloric Acid SCHEMBL25180348 0.75 CA2 (0.75) ALDH1A1HPGDHSD17B10CA2CAMK2A
Hydrochloric Acid SCHEMBL6765874 0.75 CA2 (0.75) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL17481548 0.72 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL31453 0.72 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10CA2CAMK2A
Acetone SCHEMBL2930477 0.72 CA2 (0.58) ALDH1A1HPGDHSD17B10CA2CAMK2A
Propane SCHEMBL11173846 0.72 CA2 (0.86) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL92022 0.72 CA2 (0.62) ALDH1A1HPGDHSD17B10CA2CAMK2A

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-11549017-B2 NIR to SWIR fluorescent compounds for imaging and detection PERKINELMER HEALTH SCIENCES, INC. (US) 2023-01-10 — — US disclosed
US-20190100654-A1 NIR TO SWIR FLUORESCENT COMPOUNDS FOR IMAGING AND DETECTION REVVITY HEALTH SCIENCES, INC. 2019-04-04 — — 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-11549017-B2 NIR to SWIR fluorescent compounds for imaging and detection SMARCD1, SMARCE1, SMARCB1 ALDH1A1 3287/4885HPGD 2747/4885HSD17B10 4595/4885
US-20190100654-A1 NIR TO SWIR FLUORESCENT COMPOUNDS FOR IMAGING AND DETECTION SMARCD1, SMARCE1, SMARCB1 ALDH1A1 3287/4885HPGD 2747/4885HSD17B10 4595/4885

“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.

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