SCHEMBL5494672

SCHEMBL5494672

Cc1ccc(C)c(C)c1C.Cc1ccc(C)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2A6 P11509 2/20 0.45
TDP2 O95551 1/20 0.45
NSD2 O96028 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PAX8 Q06710 1/20 0.45
ACHE P22303 2/20 0.43
POLB P06746 1/20 0.42
TRPA1 O75762 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
NOS3 P29474 2/20 0.38
NOS2 P35228 2/20 0.38
ALDH1A1 P00352 3/20 0.37
CASP1 P29466 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.33

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
SCHEMBL37955 1.00 TSHR (0.45) TSHRCYP1A2CYP2A6TDP2NSD2
SCHEMBL5181689 0.95 TSHR (0.43) TSHRCYP1A2CYP2A6TDP2NSD2
SCHEMBL10346182 0.95 TSHR (0.43) TSHRCYP1A2CYP2A6TDP2NSD2
SCHEMBL571577 0.95 TSHR (0.43) TSHRCYP1A2CYP2A6TDP2NSD2
SCHEMBL4699685 0.88 ALDH1A1 (0.45) TSHRCYP1A2CYP2A6TDP2NSD2
SCHEMBL23854312 0.84 POLB (0.55) TSHRCYP1A2CYP2A6TDP2NSD2
SCHEMBL4078654 0.84 TSHR (0.38) TSHRCYP1A2CYP2A6TDP2NSD2
SCHEMBL4071459 0.84 TRPA1 (0.55) TSHRCYP1A2CYP2A6ACHETRPA1
SCHEMBL31673873 0.84 POLB (0.55) TSHRCYP1A2CYP2A6TDP2NSD2
Ethylenediamine SCHEMBL18725865 0.82 TAAR1 (0.42) TSHRCYP1A2CYP2A6TDP2NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections GILEAD PHARMASSET LLC 2007-04-05 US disclosed
US-4778946-A DESORPTION WITH AROMATIC HYDROCARBON EXXON RESEARCH AND ENGINEERING COMPANY (US) 1988-10-18 US disclosed
EP-0105698-A1 A process for separating ethylbenzene from feedstream containing meta-xylene using a zeolite adsorbent EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-04-18 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-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections ENTPD5, DUT, NT5C3B TSHR 4176/4885CYP1A2 1240/4885CYP2A6 1327/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B TSHR 4165/4885CYP1A2 1174/4885CYP2A6 1296/4885

“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.