SCHEMBL15869720

SCHEMBL15869720

Cc1ccc(C)c(OCCOc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
DRD2 P14416 6/20 0.51
DRD4 P21917 6/20 0.51
CYP2C9 P11712 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TTR P02766 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C8 P10632 1/20 0.51
CHRM1 P11229 1/20 0.51
ADRA1A P35348 1/20 0.51
PPARG P37231 1/20 0.51
HTR2B P41595 1/20 0.51
PPARA Q07869 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
CISD1 Q9NZ45 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
POLB P06746 2/20 0.49
DRD3 P35462 4/20 0.49
MEN1 O00255 2/20 0.47

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
SCHEMBL3763431 0.89 TSHR (0.57) TSHRDRD2DRD4CYP2C9TDP1
SCHEMBL5929495 0.87 TSHR (0.67) TSHRCYP2C9TDP1TTRCYP1A2
SCHEMBL6061448 0.86 TSHR (0.50) TSHRDRD2DRD4CYP2C9TDP1
SCHEMBL5286863 0.86 L3MBTL1 (0.55) TSHRDRD2DRD4TDP1SMN1; SMN2
SCHEMBL21118395 0.85 TSHR (0.57) TSHRDRD2DRD4CYP2C9TDP1
SCHEMBL5285816 0.83 TDP1 (0.57) TSHRDRD2DRD4CYP2C9TDP1
SCHEMBL14937443 0.83 DRD2 (0.49) TSHRDRD2DRD4TDP1POLB
SCHEMBL10705816 0.83 TSHR (0.55) TSHRCYP2C9TDP1TTRCYP1A2
SCHEMBL15869774 0.83 HPGD (0.50) DRD2DRD4CYP2C9TDP1CYP1A2
SCHEMBL15869715 0.83 DRD2 (0.49) TSHRDRD2DRD4TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056862-B2 Thioxothiazolidine derivative having Ras function inhibitory effect NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2015-06-16 US disclosed
US-9056862-B2 Thioxothiazolidine derivative having Ras function inhibitory effect NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2015-06-16 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KNC LABORATORIES CO., LTD. (JP) 2014-07-10 US disclosed
US-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KNC LABORATORIES CO., LTD. (JP) 2014-07-10 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-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KRAS, NRAS, RASSF5 TSHR 1029/4885DRD2 4040/4885DRD4 2977/4885

“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.