SCHEMBL7933003

SCHEMBL7933003

CCCCCCCCOc1ccccc1NC=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
NR1I2 O75469 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TSHR P16473 2/20 0.49
PTPN1 P18031 3/20 0.48
EBP Q15125 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL7927147 1.00 KMT2A (0.51) KMT2AMAPTLMNAMEN1NR1I2
SCHEMBL6769638 1.00 KMT2A (0.51) KMT2AMAPTLMNAMEN1NR1I2
SCHEMBL19946517 1.00 KMT2A (0.51) KMT2AMAPTLMNAMEN1NR1I2
SCHEMBL2201555 1.00 KMT2A (0.51) KMT2AMAPTLMNAMEN1NR1I2
SCHEMBL10389742 0.98 KMT2A (0.52) KMT2AMAPTLMNAMEN1NR1I2
SCHEMBL226503 0.94 KMT2A (0.57) KMT2AMAPTLMNAMEN1NR1I2
SCHEMBL8957741 0.89 ALDH1A1 (0.54) KMT2AMAPTLMNAMEN1TSHR
SCHEMBL19583495 0.82 KMT2A (0.57) KMT2AMAPTLMNAMEN1NR1I2
SCHEMBL7525333 0.82 ALDH1A1 (0.57) KMT2AMAPTLMNAMEN1TSHR
SCHEMBL1801369 0.81 TSHR (0.49) KMT2AMAPTLMNAMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161439-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2019-05-30 US disclosed
EP-3309145-A1 MARINE PERIPHYTON REPELLENT COMPOSITION Basseru Chemical Co., Ltd. (JP) 2018-04-18 EP disclosed
US-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2018-03-15 US disclosed
EP-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP 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-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION CCL11, SPTLC3, C3AR1 KMT2A 1805/4885MAPT 3045/4885LMNA 3451/4885
US-20190161439-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION CCL11, SPTLC3, C3AR1 KMT2A 1805/4885MAPT 3045/4885LMNA 3451/4885

“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.