SCHEMBL18350076

SCHEMBL18350076

CC1CCc2ccc(O)cc2C1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
LMNA P02545 1/20 0.47
HTR1A P08908 1/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL18408045 1.00 ESR1 (0.50) ESR1ESR2MAOAMAOBCYP2D6
SCHEMBL683191 0.85 ESR1 (0.50) ESR1ESR2TSHRSLC6A4SLC6A3
SCHEMBL13899948 0.81 OPRK1 (0.47) ESR1ESR2DRD2DRD3
SCHEMBL14489310 0.81 OPRK1 (0.47) ESR1ESR2DRD2DRD3
SCHEMBL15413032 0.78 MAOA (0.33) MAOATSHRDRD2DRD3
SCHEMBL20100784 0.77 MAOA (0.50) MAOATSHRDRD2DRD3
SCHEMBL7297169 0.76 NQO2 (0.46) ESR1ESR2MAOAMAOBCYP2D6
SCHEMBL6937686 0.75 HTR2A (0.54) CYP19A1CYP11B1DRD2DRD3
SCHEMBL8348394 0.75 ESR1 (0.54) ESR1ESR2MAOAMAOBCYP2D6
SCHEMBL28033988 0.75 ESR1 (0.54) ESR1ESR2MAOAMAOBCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9766541-B2 Positive-type resist composition, method for forming resist pattern, photo-reactive quencher, and polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2017-09-19 US disclosed
EP-2220048-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
US-20160376233-A1 POSITIVE-TYPE RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, PHOTO-REACTIVE QUENCHER, AND POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2016-12-29 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-20160376233-A1 POSITIVE-TYPE RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, PHOTO-REACTIVE QUENCHER, AND POLYMERIC COMPOUND RB1, RPL22, RPS21 ESR1 274/4885ESR2 381/4885MAOA 3834/4885

“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.