SCHEMBL5489439

SCHEMBL5489439

CCc1ccccc1C.CCc1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
TSHR P16473 1/20 0.50
ACHE P22303 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
KMT2A Q03164 3/20 0.48
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
SHBG P04278 1/20 0.47
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CTBP2 P56545 1/20 0.45
CHRM2 P08172 1/20 0.45
MAPT P10636 1/20 0.44
MGLL Q99685 1/20 0.43
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL29458957 1.00
SCHEMBL40576 1.00
Ethane SCHEMBL27859312 0.97 TAAR1 (0.52) TAAR1TSHRACHEPTGS1PTGS2
SCHEMBL31498537 0.97 TAAR1 (0.52) TAAR1TSHRACHEPTGS1PTGS2
Methane SCHEMBL28281016 0.97 TAAR1 (0.52) TAAR1TSHRACHEPTGS1PTGS2
Ammonia Solution, Strong SCHEMBL5005672 0.97 TAAR1 (0.52) TAAR1TSHRACHEPTGS1PTGS2
SCHEMBL5157331 0.97 TAAR1 (0.52) TAAR1TSHRACHEPTGS1PTGS2
O-Xylene SCHEMBL9356149 0.97 TSHR (0.56) TAAR1TSHRACHEPTGS1PTGS2
Ammonia Solution, Strong SCHEMBL9453011 0.97 TAAR1 (0.52) TAAR1TSHRACHEPTGS1PTGS2
Hydrogen Sulfide SCHEMBL28235130 0.97 TAAR1 (0.52) TAAR1TSHRACHEPTGS1PTGS2

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-103934018-A Heavy aromatics processing catalyst and process of using the same EXXONMOBIL CHEM PATENTS INC 2014-07-23 CN disclosed
CN-101842336-B Heavy aromatics processing catalyst and method of use EXXONMOBIL CHEM PATENTS INC 2014-05-07 CN disclosed
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
CN-101842336-A Heavy aromatics processing catalyst and method of use EXXONMOBIL CHEM PATENTS INC 2010-09-22 CN disclosed
US-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections GILEAD PHARMASSET LLC 2007-04-05 US disclosed
CN-1043421-C Process for preparing p-methyl ethyl benzene by reaction of dilute ethylene and toluene NO 2 PETROLEUM PLANT FUSHUN PE (CN) 1999-05-19 CN disclosed
US-4117024-A REACTING TOLUENE OR ETHYLBENZENE WITH ETHYLENE, ZEOLITE CATALYST MOBIL OIL CORPORATION (US) 1978-09-26 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-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections ENTPD5, DUT, NT5C3B TAAR1 3913/4885TSHR 4176/4885ACHE 4224/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B TAAR1 3855/4885TSHR 4165/4885ACHE 4159/4885

“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.