SCHEMBL2989162

SCHEMBL2989162

Cc1cc(C(C)(C)C)cc(C)c1CCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.56
HTR1B P28222 5/20 0.50
POLB P06746 2/20 0.46
TSHR P16473 3/20 0.42
HTR1A P08908 2/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL893283 0.76 ALDH1A1 (0.41) HTR1DTSHRTP53CYP3A4TDP1
SCHEMBL531025 0.76 RAPGEF4 (0.46) HTR1DHTR1BTSHRLMNAMAPK1
SCHEMBL14959898 0.75 HTR1D (0.56) HTR1DHTR1BPOLBTSHRHTR1A
SCHEMBL11223055 0.75 HTR1D (0.68) HTR1DHTR1BPOLBTSHRHTR1A
SCHEMBL11441560 0.75 HTR1D (0.56) HTR1DHTR1BPOLBTSHRHTR1A
SCHEMBL11221925 0.75 HTR1D (0.56) HTR1DHTR1BPOLBTSHRHTR1A
SCHEMBL21472699 0.74 RAPGEF4 (0.40) TSHRCHRM1ADRA1AHTR2BCYP3A4
SCHEMBL20669667 0.72 PTGS2 (0.34) TP53HTR2AHTR2CHTR2B
SCHEMBL17393753 0.72 GABRA1 (0.40) HTR1DHTR1BPOLBTSHRMAPT
SCHEMBL9250482 0.72 GABRA1 (0.46) HTR1DHTR1BPOLBTSHRMAPT

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
CN-103351343-A Synthetic method for xylometazoline hydrochloride TIANJIN HUAJIN PHARMACEUTICAL CO LTD 2013-10-16 CN claimed
CN-117074566-A Method for detecting genotoxic impurities in oxymetazoline hydrochloride 常州亚邦制药有限公司 2023-11-17 CN disclosed
CN-103351343-A Synthetic method for xylometazoline hydrochloride TIANJIN HUAJIN PHARMACEUTICAL CO LTD 2013-10-16 CN disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-7087644-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-05-04 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-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS HTR1D 2466/4885HTR1B 1008/4885POLB 4758/4885
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties DDC, AADAT, PTGIS HTR1D 2466/4885HTR1B 1008/4885POLB 4758/4885

“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.