SCHEMBL2993708

SCHEMBL2993708

CSc1ccc(C(=O)C2CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.57
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 2/20 0.56
POLB P06746 3/20 0.55
RXFP1 Q9HBX9 1/20 0.55
SLC18A3 Q16572 1/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 2/20 0.47
GALR3 O60755 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6988277 0.98 ALDH1A1 (0.57) SRD5A2ALDH1A1KDM4EPOLBRXFP1
SCHEMBL5187550 0.95 ALDH1A1 (0.57) SRD5A2ALDH1A1KDM4EPOLBRXFP1
SCHEMBL5187629 0.91 SLC18A3 (0.56) SRD5A2ALDH1A1KDM4EPOLBRXFP1
SCHEMBL13874024 0.83 MEN1 (0.66) ALDH1A1KDM4EPOLBRXFP1SLC18A3
Hydrochloric Acid SCHEMBL3846012 0.81 MEN1 (0.69) ALDH1A1KDM4EPOLBRXFP1SLC18A3
SCHEMBL507614 0.79 KMT2A (0.66) SRD5A2ALDH1A1POLBKMT2AMEN1
SCHEMBL4771785 0.79 SLC18A3 (0.56) ALDH1A1KDM4EPOLBRXFP1SLC18A3
SCHEMBL21077978 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBRXFP1SLC18A3
SCHEMBL1554062 0.78 SRD5A2 (0.49) SRD5A2ALDH1A1KDM4EPOLBRXFP1
SCHEMBL7486159 0.77 SRD5A2 (0.65) SRD5A2ALDH1A1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
CN-102958909-B metal-free bleaching compositions 巴斯夫欧洲公司 2016-11-09 CN disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CHERNEY ROBERT J 2006-06-22 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 (1 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-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 SRD5A2 492/4885ALDH1A1 1022/4885KDM4E 4826/4885

“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.