SCHEMBL4452435

SCHEMBL4452435

CC1CCCC(c2ccccc2O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DPP4 P27487 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
TERT O14746 1/20 0.34
MYC P01106 1/20 0.34

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
SCHEMBL11594610 0.89 ESR2 (0.41) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL7536670 0.86 CHRNB2 (0.36) KMT2AMEN1ALDH1A1HPGDALOX15
SCHEMBL2047882 0.82 MEN1 (0.52) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL21568469 0.80 HTR2C (0.50) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL18040831 0.80 MEN1 (0.43) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL8216158 0.79 ALDH1A1 (0.34) KMT2AMEN1ALDH1A1
SCHEMBL18611824 0.79 KDM1A (0.43) KMT2AMEN1HTR2CHTR2BCHRNB2
SCHEMBL8932290 0.79 GAA (0.39) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL8786151 0.79 GAA (0.39) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL8932294 0.79 GAA (0.39) KMT2AMEN1ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113544126-A Hindered amine stabilizer mixtures 巴斯夫欧洲公司 2021-10-22 CN disclosed
US-7586009-B2 Bis-(hydroxybenzaldehyde) compound and novel polynuclear polyphenol compound derived therefrom and method for production thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-09-08 US disclosed
US-20090076310-A1 NOVEL BIS-(HYDROXYBENZALDEHYDE) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED THEREFROM AND METHOD FOR PRODUCTION THEREOF HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-03-19 US disclosed
EP-1385905-A1 PRODUCT IN SUBDIVIDED FORM FOR PREPARING CROSSLINKABLE ELASTOMERIC COMPOSITIONS PIRELLI PNEUMATICI S.p.A. (IT) 2004-02-04 EP disclosed
WO-2002083783-A1 PRODUCT IN SUBDIVIDED FORM FOR PREPARING CROSSLINKABLE ELASTOMERIC COMPOSITIONS PIRELLI PNEUMATICI S.P.A. (IT) 2002-10-24 WO disclosed
US-5639900-A MOLYBDENUM OR TUGSTEN COMPLEXES METTON AMERICA, INC. (US) 1997-06-17 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 (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-20090076310-A1 NOVEL BIS-(HYDROXYBENZALDEHYDE) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED THEREFROM AND METHOD FOR PRODUCTION THEREOF DDT, PAH, HPD KMT2A 2489/4885MEN1 4548/4885HTR2A 2517/4885

“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.